Molecule ID: 748627

IUPAC Name: N-(4-methylphenyl)-2-pyridin-4-ylquinazolin-4-amine

Description: The molecule is a member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and (4-methylphenyl)nitrilo groups, respectively. It is a member of quinazolines, a secondary amino compound, an aromatic amine, a member of pyridines, a member of toluenes and a substituted aniline.

SMILES: Cc1ccc(N=c2nc(-c3ccncc3)[nH]c3ccccc23)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C20H16N4/c1-14-6-8-16(9-7-14)22-20-17-4-2-3-5-18(17)23-19(24-20)15-10-12-21-13-11-15/h2-13H,1H3,(H,22,23,24)

Molecular Properties:
- Polar Surface Area: 50.7 Ų
- LogP: 4.7