Molecule ID: 57379018

IUPAC Name: 6-[7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;hydrochloride

Description: The molecule is a hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor It has a role as an antineoplastic agent, a fibroblast growth factor receptor antagonist and a vascular endothelial growth factor receptor antagonist. It contains an E-3810(1+).

SMILES: CN=C(O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12.Cl

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

InChI: InChI=1S/C26H25N3O4.ClH/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26;/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30);1H

Molecular Properties:
- Polar Surface Area: 95.7 Ų
- LogP: nan