Molecule ID: 4882879

IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylquinazolin-4-amine

Description: The molecule is a member of the class of quinazolines that is quinazoline which is substituted by a pyridin-3-yl group and a (1-benzylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively. It is a member of piperidines, a member of quinazolines, a member of pyridines, a secondary amino compound, a tertiary amino compound and an aromatic amine.

SMILES: c1ccc(CN2CCC(N=c3[nH]c(-c4cccnc4)nc4ccccc34)CC2)cc1

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

InChI: InChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29)

Molecular Properties:
- Polar Surface Area: 53.9 Ų
- LogP: 4.5