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

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

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)OCCCN4CCCC4.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OCCCN4CCCC4.O.Cl

InChI

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