6-methyl-4-phenylquinoline-3-carbonitrile

C17H12N2 — CID 141436065

IUPAC6-methyl-4-phenylquinoline-3-carbonitrile
SMILESCc1ccc2ncc(C#N)c(-c3ccccc3)c2c1
InChIInChI=1S/C17H12N2/c1-12-7-8-16-15(9-12)17(14(10-18)11-19-16)13-5-3-2-4-6-13/h2-9,11H,1H3
InChIKeyNGLJMIFPIAYMOF-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.08
Rot. Bonds1

About 6-methyl-4-phenylquinoline-3-carbonitrile

6-methyl-4-phenylquinoline-3-carbonitrile (PubChem CID 141436065) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methyl-4-phenylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-phenylquinoline-3-carbonitrile
PubChem CID141436065
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name6-methyl-4-phenylquinoline-3-carbonitrile
SMILESCc1ccc2ncc(C#N)c(-c3ccccc3)c2c1
InChIInChI=1S/C17H12N2/c1-12-7-8-16-15(9-12)17(14(10-18)11-19-16)13-5-3-2-4-6-13/h2-9,11H,1H3
InChIKeyNGLJMIFPIAYMOF-UHFFFAOYSA-N
XLogP4.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-4-phenylquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-6-methylquinoline-3-carbonitrile
CID 105482297
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
2-[(3-cyano-6-methylquinolin-4-yl)amino]benzoic acid
CID 167600659
1-(3-cyano-6-methylquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064366
3-methylquinoline-5-carbonitrile
CID 23510421
6-methyl-2-pyridin-3-ylquinoline-4-carbonitrile
CID 177296669
6-[[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]-4-phenylquinoline-3-carbonitrile
CID 174528257
6-methyl-4-phenylquinoline
CID 15512349
4-(4-bromophenyl)-6,7-dimethoxyquinoline-3-carbonitrile
CID 174463121
4-(2-bromo-4-methylanilino)quinoline-3-carbonitrile
CID 43668917
4-(2-chloro-5-methylanilino)quinoline-3-carbonitrile
CID 107635172
1-(3-cyano-6-methylquinolin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106466

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenylquinoline-3-carbonitrile?
The IUPAC name of 6-methyl-4-phenylquinoline-3-carbonitrile (CID 141436065) is 6-methyl-4-phenylquinoline-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-phenylquinoline-3-carbonitrile?
The canonical SMILES for 6-methyl-4-phenylquinoline-3-carbonitrile is Cc1ccc2ncc(C#N)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-phenylquinoline-3-carbonitrile?
The InChIKey is NGLJMIFPIAYMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-12-7-8-16-15(9-12)17(14(10-18)11-19-16)13-5-3-2-4-6-13/h2-9,11H,1H3.
What are the key properties of 6-methyl-4-phenylquinoline-3-carbonitrile?
6-methyl-4-phenylquinoline-3-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenylquinoline-3-carbonitrile is sourced from PubChem (CID 141436065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).