Molecule ID: 70678691

IUPAC Name: [1-[[6-methoxy-4-[5-(methylcarbamoyl)naphthalen-2-yl]oxyquinolin-7-yl]oxymethyl]cyclopropyl]azanium

Description: The molecule is an organic cation obtained by protonation of the primary amino function of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide It is an organic cation and an ammonium ion derivative. It is a conjugate acid of an E-3810 free base.

SMILES: CN=C(O)c1cccc2cc(Oc3ccnc4cc(OCC5([NH3+])CC5)c(OC)cc34)ccc12

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][NH3+1][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]

InChI: InChI=1S/C26H25N3O4/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)/p+1

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 3.6