Results for:
chemical Classification: isoquinolines

Isoquinoline

Compound Details

Synonymous names	ISOQUINOLINE 119-65-3 2-Benzazine 2-Azanaphthalene Benzo[c]pyridine Isochinolin beta-Quinoline Benzo(c)pyridine 2-Benzanine 3,4-Benzopyridine Isoquinoline-5,8-D2 .beta.-Quinoline FEMA No. 2978 NSC 3395 JGX76Y85M6 DTXSID2047644 CHEBI:16092 NSC-3395 2241982-85-2 ISQ Isochinolin [Czech] CCRIS 5752 EINECS 204-341-8 isoquinolin UNII-JGX76Y85M6 beta -quinoline AI3-10035 Isoquinoline, tech MFCD00006898 Isoquinoline, 97% ISOQUINOLINE [MI] EC 204-341-8 ISOQUINOLINE [FHFI] SCHEMBL9654 WLN: T66 CNJ CHEMBL12315 SCHEMBL4543153 SCHEMBL6506458 SCHEMBL8569035 DTXCID0027644 BDBM60921 FEMA 2978 Isoquinoline, analytical standard NSC3395 AMY38996 BCP23537 BCP27363 Tox21_302503 BBL011362 MFCD31699977 STL146455 AKOS000119148 CS-W013448 DB04329 HY-W012732 MCULE-5359867154 PS-5337 RTE3_000001 Isoquinoline, technical grade, 90-92% NCGC00188120-01 NCGC00256872-01 CAS-119-65-3 SY246282 8-(1,4-diazepan-1-ylsulfonyl)isoquinoline DB-003694 I0182 NS00010835 EN300-19121 PK04_181276 C06323 F52665 A804333 AC-907/25014235 Q412316 W-108502 F0001-0310 Z104472854 InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7 2-Azanaphthalene; 2-Benzazine; Benzo[c]pyridine; Benzopyridine; NSC 3395; ?-Quinoline
Microorganism:	Yes
IUPAC name	isoquinoline
SMILES	C1=CC=C2C=NC=CC2=C1
Inchi	InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
Formula	C9H7N
PubChem ID	8405
Molweight	129.16
LogP	2.1
Atoms	10
Bonds	0
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	nitrogen compounds isoquinolines aromatic compounds
CHEBI-ID	16092
Supernatural-ID	SN0017172

mVOC Specific Details

Boiling Point	Degree Reference 242 median
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001635 Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009036 Massbank Spectrum MSBNK-Keio_Univ-KO003252 Massbank Spectrum MSBNK-Keio_Univ-KO003253 Massbank Spectrum MSBNK-Keio_Univ-KO003254 Massbank Spectrum MSBNK-Keio_Univ-KO003255 Massbank Spectrum MSBNK-Keio_Univ-KO003256

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Pseudomonas Sp. antifungal activity against Thielaviopsis ethacetica mycelial growth Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil Freitas et al. 2022
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Pseudomonas Sp. DYGS media HS-SPME/GC-MS no

Isoquinoline-1-carbonitrile

Mass-Spectra

Compound Details

Synonymous names	isoquinoline-1-carbonitrile 1198-30-7 1-Cyanoisoquinoline 1-Isoquinolinecarbonitrile Isoquinaldonitrile Y94LJ44YSD MFCD00134166 UNII-Y94LJ44YSD NSC 203335 NSC-203335 isoquinolinecarbonitrile isoquinaldinic nitrile 1-cyano-isoquinoline NSC203335 Maybridge1_002114 1-isoquinoline carbonitrile BIDD:GT0021 SCHEMBL251028 HMS547I02 1-Isoquinolinecarbonitrile, 99% DTXSID20308378 CCG-45292 STK774048 AKOS001295409 AB03726 MCULE-7137840271 PS-5499 AM807134 SY034107 DB-004631 CS-0041586 EN300-25592 AQ-776/40170967 isoquinoline-1-carbonitrile;1-CYANOISOQUINOLINE SR-01000635070-1 W-205071 Z212046230 125771-26-8
Microorganism:	Yes
IUPAC name	isoquinoline-1-carbonitrile
SMILES	C1=CC=C2C(=C1)C=CN=C2C#N
Inchi	InChI=1S/C10H6N2/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H
Formula	C10H6N2
PubChem ID	306057
Molweight	154.17
LogP	2.3
Atoms	12
Bonds	0
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	aromatic compounds benzenoids nitrogen compounds isoquinolines nitriles

mVOC Specific Details

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Pseudomonas Sp. antifungal activity against Thielaviopsis ethacetica mycelial growth Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil Freitas et al. 2022 Prokaryota Myxobacterium Sp. n/a NA Dickschat et al. 2004

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Pseudomonas Sp. LB media HS-SPME/GC-MS no Prokaryota Myxobacterium Sp. n/a n/a no

1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline

Compound Details

Synonymous names	1-(3,4-Diethoxybenzyl)-6,7-diisopropoxy-isoquinoline SCHEMBL2460329 OUYDQUYVGBGFKZ-UHFFFAOYSA-N
Microorganism:	Yes
IUPAC name	1-[(3,4-diethoxyphenyl)methyl]-6,7-di(propan-2-yloxy)isoquinoline
SMILES	CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC(C)C)OC(C)C)OCC
Inchi	InChI=1S/C26H33NO4/c1-7-28-23-10-9-19(14-24(23)29-8-2)13-22-21-16-26(31-18(5)6)25(30-17(3)4)15-20(21)11-12-27-22/h9-12,14-18H,7-8,13H2,1-6H3
Formula	C26H33NO4
PubChem ID	634584
Molweight	423.5
LogP	6.3
Atoms	31
Bonds	10
H-bond Acceptor	5
H-bond Donor	0
Chemical Classification	aromatic compounds benzenoids ethers heterocyclic compounds isoquinolines nitrogen compounds

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Pectobacterium Carotovorum Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Pectobacterium Carotovorum inoculated potato samples GC-MS no