Molecule ID: 1474853

IUPAC Name: 6,7-dimethoxy-N-(4-phenoxyphenyl)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 p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a member of quinazolines, a secondary amino compound, an aromatic ether and a polyether.

SMILES: COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC

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

InChI: InChI=1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)

Molecular Properties:
- Polar Surface Area: 65.5 Ų
- LogP: 4.9