N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-amine hydrochloride

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-amine hydrochloride Openeye Name: N-(4-chloro-2-fluoro-phenyl)-6-methoxy-7-[3-(4-pyridyl)propoxy]quinazolin-4-amine hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylpropoxy)-4-quinazolinamine hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-amine hydrochloride Traditional Name: (4-chloro-2-fluoro-phenyl)-[6-methoxy-7-[3-(4-pyridyl)propoxy]quinazolin-4-yl]amine hydrochloride Formula: C23H21Cl2FN4O2 MolecularWeight: 475.342843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCCC4=CC=NC=C4.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCCC4=CC=NC=C4.Cl

InChI

InChI=1S/C23H20ClFN4O2.ClH/c1-30-21-12-17-20(13-22(21)31-10-2-3-15-6-8-26-9-7-15)27-14-28-23(17)29-19-5-4-16(24)11-18(19)25;/h4-9,11-14H,2-3,10H2,1H3,(H,27,28,29);1H