Molecule ID: 10267580

IUPAC Name: 2-(6-methylpyridin-2-yl)-N-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 6-methylpyridin-2-yl and pyridin-4-ylnitrilo groups, respectively. It is an ALK5 and PKN3 kinase inhibitor. It has a role as an EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitor and an EC 2.7.11.13 (protein kinase C) inhibitor. It is a member of quinazolines, a member of pyridines, a secondary amino compound, an aromatic amine and a member of methylpyridines.

SMILES: Cc1cccc(-c2nc(N=c3cc[nH]cc3)c3ccccc3n2)n1

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

InChI: InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 3.4