5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile

C22H15N3 — CID 46888089

IUPAC5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile
SMILESCc1ccc2ccc(-c3cnc(-c4ccccc4)c(C#N)c3)cc2n1
InChIInChI=1S/C22H15N3/c1-15-7-8-16-9-10-18(12-21(16)25-15)20-11-19(13-23)22(24-14-20)17-5-3-2-4-6-17/h2-12,14H,1H3
InChIKeyNENPIXNGFVWRLL-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.14
Rot. Bonds2

About 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile

5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile (PubChem CID 46888089) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile
PubChem CID46888089
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile
SMILESCc1ccc2ccc(-c3cnc(-c4ccccc4)c(C#N)c3)cc2n1
InChIInChI=1S/C22H15N3/c1-15-7-8-16-9-10-18(12-21(16)25-15)20-11-19(13-23)22(24-14-20)17-5-3-2-4-6-17/h2-12,14H,1H3
InChIKeyNENPIXNGFVWRLL-UHFFFAOYSA-N
XLogP5.14
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylquinolin-7-yl)-2-phenylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile?
The IUPAC name of 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile (CID 46888089) is 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile?
The canonical SMILES for 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile is Cc1ccc2ccc(-c3cnc(-c4ccccc4)c(C#N)c3)cc2n1.
What is the InChIKey of 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile?
The InChIKey is NENPIXNGFVWRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-15-7-8-16-9-10-18(12-21(16)25-15)20-11-19(13-23)22(24-14-20)17-5-3-2-4-6-17/h2-12,14H,1H3.
What are the key properties of 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile?
5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 46888089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).