Results for:
chemical Classification: quinolines

Quinoline-4-sulfonic Acid

Compound Details

Synonymous names
Quinoline-4-sulfonic Acid
6046-42-0
4-Quinolinesulfonic acid
4-Quinolinesulfonic acid, AldrichCPR
dimethyltetrasulfide
Quinoline-4-sulfonicAcid
SCHEMBL11166296
DTXSID20403539
MFCD03426331
AKOS027381182
MCULE-1916309184
DB-072798
CS-0258117
EN300-69141
Z1079443330
Microorganism:

Yes

IUPAC namequinoline-4-sulfonic acid
SMILESC1=CC=C2C(=C1)C(=CC=N2)S(=O)(=O)O
InchiInChI=1S/C9H7NO3S/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,11,12,13)
FormulaC9H7NO3S
PubChem ID4462285
Molweight209.22
LogP-0.3
Atoms14
Bonds1
H-bond Acceptor4
H-bond Donor1
Chemical Classificationsulfur compounds aromatic compounds benzenoids quinolines nitrogen compounds sulfonyls

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMyxobacterium Sp.n/aNADickschat et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMyxobacterium Sp.n/an/ano


4-methylquinoline

Mass-Spectra

Compound Details

Synonymous names
Lepidine
4-METHYLQUINOLINE
491-35-0
Quinoline, 4-methyl-
Cincholepidine
Lepidin
p-Methylquinoline
4-Lepidine
4-methyl-quinoline
gamma-Methylquinoline
CCRIS 2894
HSDB 7153
NSC 3412
MFCD00006784
AI3-24277
.gamma.-Methylquinoline
DTXSID7047067
CHEBI:48983
NSC-3412
116169T3O8
4-methyl quinoline
EINECS 207-734-2
BRN 0110926
Lepidine (4-Methylquinoline)
UNII-116169T3O8
Lepidine, 99%
methyl-4 isoquinoleine
LEPIDINE [MI]
CHEMBL9734
SCHEMBL31559
4-Methylquinoline, >=99%
5-20-07-00389 (Beilstein Handbook Reference)
DTXCID5027067
NSC3412
AMY13842
BCP27150
STR06140
Tox21_301829
AKOS000119150
MCULE-8999201921
PS-3771
NCGC00184238-01
NCGC00184238-02
NCGC00184238-03
NCGC00184238-04
NCGC00184238-05
NCGC00184238-06
NCGC00184238-07
NCGC00184238-08
NCGC00184238-09
NCGC00184238-10
NCGC00256086-01
CAS-491-35-0
DB-013319
L0024
NS00012990
EN300-19081
A22510
H10212
J-515822
Q6527408
F0001-1281
Z104472668
InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H
Microorganism:

Yes

IUPAC name4-methylquinoline
SMILESCC1=CC=NC2=CC=CC=C12
InchiInChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
FormulaC10H9N
PubChem ID10285
Molweight143.18
LogP2.6
Atoms11
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids nitrogen compounds quinolines aromatic compounds
CHEBI-ID48983
Supernatural-IDSN0235434

mVOC Specific Details

Boiling Point
DegreeReference
261-263 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Volatilization
The Henry's Law constant for 4-methylquinoline is estimated as 7.6X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-methylquinoline is expected to be essentially nonvolatile from water surfaces(2). 4-Methylquinoline is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.4X10-3 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Solubility
Slightly soluble in water
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Soluble in ethanol, ether, and acetone.
Literature: Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-308
Literature: #Miscible with alcohol and benzene
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 973
Literature: #Soluble in mineral acid; insoluble in alkali
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V5 4875
Literature: #In water, 783 mg/liter @ 25 deg C
Literature: Meylan WM et al; Environ Toxicol Chem 15: 100-106 (1996)
Soil Adsorption
The Koc of 4-methylquinoline is estimated as 630(SRC), using a log Kow of 2.61(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylquinoline is expected to have low mobility in soil(SRC). The pKa of 4-methylquinoline is 5.67(4), indicating that this compound will partially exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 68 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
6.4X10-3 mm Hg @ 20 deg C /Extrapolated/Walton J; Eng Sci Data Item 77019, p. 29 (1977)
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaMyxococcus Xanthusn/an/ano
ProkaryotaStreptomyces Caviscabiesn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStigmatella Aurantiacan/an/ano
ProkaryotaMyxobacterium Sp.n/an/ano
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


3-methylquinoline

Compound Details

Synonymous names
3-METHYLQUINOLINE
612-58-8
Quinoline, 3-methyl-
3-methyl-quinoline
3-Methyl-1-benzazine
CCRIS 2896
NSC 109149
MFCD00014661
beta-Methylquinoline
1YC9RBW2G0
CHEMBL195661
CHEBI:20140
NSC-109149
3-methyl quinoline
EINECS 210-315-7
UNII-1YC9RBW2G0
BRN 0110325
3-Methylquinoline, 99%
SCHEMBL2938
METHYLQUINOLINE, 3-
5-20-07-00388 (Beilstein Handbook Reference)
DTXSID60210108
AM1098
BDBM50159256
c0070
NSC109149
AKOS002337541
CS-W016413
MCULE-2515343093
SB67444
AC-27345
DS-15139
Quinoline, 3-methyl- (7CI,8CI,9CI)
SY048469
DB-053823
M0782
NS00034623
EN300-79890
A833130
Q27109284
Z1217215047
InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H
Microorganism:

Yes

IUPAC name3-methylquinoline
SMILESCC1=CC2=CC=CC=C2N=C1
InchiInChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
FormulaC10H9N
PubChem ID11926
Molweight143.18
LogP2.5
Atoms11
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids nitrogen compounds quinolines aromatic compounds
CHEBI-ID20140
Supernatural-IDSN0074696

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaArthrobacter AgilisLB medium/NA mediumSPME-GC/MSno


2,3,9,11-tetrachloro-5,6-dihydrobenzo[c]acridine-7-carbaldehyde

Compound Details

Synonymous names
JTPNBFMWIPOXHM-UHFFFAOYSA-N
2,3,9,11-Tetrachloro-5,6-dihydrobenzo[c]acridine-7-carbaldehyde #
5,6-Dihydro-2,3,9,11-tetrachlorobenz[c]acridine-7-carboxal dehyde
Microorganism:

No

IUPAC name2,3,9,11-tetrachloro-5,6-dihydrobenzo[c]acridine-7-carbaldehyde
SMILESC1CC2=C(C3=CC(=C(C=C31)Cl)Cl)N=C4C(=CC(=CC4=C2C=O)Cl)Cl
InchiInChI=1S/C18H9Cl4NO/c19-9-4-12-13(7-24)10-2-1-8-3-14(20)15(21)6-11(8)17(10)23-18(12)16(22)5-9/h3-7H,1-2H2
FormulaC18H9Cl4NO
PubChem ID633928
Molweight397.1
LogP6.1
Atoms24
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaldehydes aromatic compounds benzenoids chlorides halogenated compounds heterocyclic compounds quinolines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


(E)-3-(1,3-benzodioxol-5-yl)-1-quinolin-2-ylprop-2-en-1-one

Compound Details

Synonymous names
AZVIRQANECFTPT-WEVVVXLNSA-N
3-(3,4-(Methylenedioxy)phenyl)-1-(2-quinolyl)-2-propen-1-one
(2E)-3-(1,3-Benzodioxol-5-yl)-1-(2-quinolinyl)-2-propen-1-one #
Microorganism:

No

IUPAC name(E)-3-(1,3-benzodioxol-5-yl)-1-quinolin-2-ylprop-2-en-1-one
SMILESC1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=NC4=CC=CC=C4C=C3
InchiInChI=1S/C19H13NO3/c21-17(16-8-7-14-3-1-2-4-15(14)20-16)9-5-13-6-10-18-19(11-13)23-12-22-18/h1-11H,12H2/b9-5+
FormulaC19H13NO3
PubChem ID5378612
Molweight303.3
LogP4.1
Atoms23
Bonds3
H-bond Acceptor4
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids dioxolanes heterocyclic compounds ketones nitrogen compounds quinolines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno