Molecule ID: 5330173

IUPAC Name: N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

Description: The molecule is a member of the class of quinazolines that is quinazoline which is substituted at position 4 by a 2-chloro-5-methoxyanilino group, at position 6 by a methoxy group and at position 7 by a 3-(morpholin-4-yl)propoxy group. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is an aromatic ether, a polyether, a member of quinazolines, a secondary amino compound, a member of morpholines, a tertiary amino compound and a member of monochlorobenzenes.

SMILES: COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1

SELFIES: [C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][Ring2][N][C][=N][C][=N][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][=C]

InChI: InChI=1S/C23H27ClN4O4/c1-29-16-4-5-18(24)20(12-16)27-23-17-13-21(30-2)22(14-19(17)25-15-26-23)32-9-3-6-28-7-10-31-11-8-28/h4-5,12-15H,3,6-11H2,1-2H3,(H,25,26,27)

Molecular Properties:
- Polar Surface Area: 78.0 Ų
- LogP: 4.0