Molecule ID: 2051

IUPAC Name: N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine

Description: The molecule is a member of the class of quinazolines that is quinazoline substituted by methoxy groups at positions 6 and 7 and a (3-chlorophenyl)nitrilo group at position 4. It acts as an epidermal growth factor receptor antagonist. It has a role as an epidermal growth factor receptor antagonist and an antineoplastic agent. It is a member of quinazolines, an aromatic ether and a member of monochlorobenzenes.

SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC

SELFIES: [C][O][C][=C][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C]

InChI: InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)

Molecular Properties:
- Polar Surface Area: 56.3 Ų
- LogP: 4.0