4-phenylisoquinoline;quinoline-3-carbonitrile

C25H17N3 — CID 174493655

IUPAC4-phenylisoquinoline;quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1.c1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C15H11N.C10H6N2/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-11H;1-5,7H
InChIKeyWVMPTGCGIGZLTR-UHFFFAOYSA-N
MW359.43 g/mol
LogP6.01
Rot. Bonds1

About 4-phenylisoquinoline;quinoline-3-carbonitrile

4-phenylisoquinoline;quinoline-3-carbonitrile (PubChem CID 174493655) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-phenylisoquinoline;quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-phenylisoquinoline;quinoline-3-carbonitrile
PubChem CID174493655
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name4-phenylisoquinoline;quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1.c1ccc(-c2cncc3ccccc23)cc1
InChIInChI=1S/C15H11N.C10H6N2/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-11H;1-5,7H
InChIKeyWVMPTGCGIGZLTR-UHFFFAOYSA-N
XLogP6.01
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-isoquinolin-4-ylphenyl)phenyl]phenyl]isoquinoline
CID 118582410
4-[4-(4-phenyl-6-triphenylen-2-ylpyrimidin-2-yl)phenyl]isoquinoline
CID 130265015
4-[4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]isoquinoline
CID 165168443
3-[2-(10-phenylanthracen-9-yl)ethynyl]quinoline
CID 58730024
1-methylpiperazine;quinoline-3-carbonitrile
CID 162042146
3-isoquinolin-4-ylaniline
CID 22724137
4-[4-[6-(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130263780
CID 140795099
CID 140795099
4-[4-[6-(3-naphthalen-1-ylphenyl)-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 121384409
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;4-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 158353783
4-[4-[6-[3,5-bis(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130264250
4-(1,7-naphthyridin-5-yl)benzonitrile
CID 174888795

Frequently Asked Questions

What is the IUPAC name of 4-phenylisoquinoline;quinoline-3-carbonitrile?
The IUPAC name of 4-phenylisoquinoline;quinoline-3-carbonitrile (CID 174493655) is 4-phenylisoquinoline;quinoline-3-carbonitrile.
What is the SMILES notation for 4-phenylisoquinoline;quinoline-3-carbonitrile?
The canonical SMILES for 4-phenylisoquinoline;quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1.c1ccc(-c2cncc3ccccc23)cc1.
What is the InChIKey of 4-phenylisoquinoline;quinoline-3-carbonitrile?
The InChIKey is WVMPTGCGIGZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N.C10H6N2/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15;11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-11H;1-5,7H.
What are the key properties of 4-phenylisoquinoline;quinoline-3-carbonitrile?
4-phenylisoquinoline;quinoline-3-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylisoquinoline;quinoline-3-carbonitrile is sourced from PubChem (CID 174493655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).