N-(4-chloranyl-2-fluoranyl-phenyl)-4-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-6-amine hydrate hydrochloride

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-4-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-6-amine hydrate hydrochloride Openeye Name: N-(4-chloro-2-fluoro-phenyl)-4-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-6-amine hydrate hydrochloride CAS Name: N-(4-chloro-2-fluorophenyl)-4-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-6-quinazolinamine hydrate hydrochloride IUPAC Name: N-(4-chloro-2-fluorophenyl)-4-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-6-amine hydrate hydrochloride Traditional Name: (4-chloro-2-fluoro-phenyl)-[4-methoxy-7-(3-pyrrolidinopropoxy)quinazolin-6-yl]amine hydrate hydrochloride Formula: C22H27Cl2FN4O3 MolecularWeight: 485.379183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=CC(=C(C=C21)NC3=C(C=C(C=C3)Cl)F)OCCCN4CCCC4.O.Cl

Isomeric SMILES

COC1=NC=NC2=CC(=C(C=C21)NC3=C(C=C(C=C3)Cl)F)OCCCN4CCCC4.O.Cl

InChI

InChI=1S/C22H24ClFN4O2.ClH.H2O/c1-29-22-16-12-20(27-18-6-5-15(23)11-17(18)24)21(13-19(16)25-14-26-22)30-10-4-9-28-7-2-3-8-28;;/h5-6,11-14,27H,2-4,7-10H2,1H3;1H;1H2