Molecule ID: 9825161

IUPAC Name: N-[4-amino-1-(2-chloroethyl)naphthalen-2-yl]-5,6,7-trimethoxy-1H-indole-2-carboxamide

Description: The molecule is an indolecarboxamide obtained by the formal condensation of the carboxy group of 5,6,7-trimethoxyindole-2-carboxylic acid with the 2-amino group of 1-(2-chloroethyl)-2,4-diaminonaphthalene. It has a role as an antineoplastic agent. It is an indolecarboxamide, an aromatic amine, an aromatic ether and an organochlorine compound.

SMILES: COc1cc2cc(C(=O)Nc3cc(N)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC

SELFIES: [C][O][C][=C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][C][C][Cl][NH1][C][=Ring2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N][O][C]

InChI: InChI=1S/C24H24ClN3O4/c1-30-20-11-13-10-19(27-21(13)23(32-3)22(20)31-2)24(29)28-18-12-17(26)15-7-5-4-6-14(15)16(18)8-9-25/h4-7,10-12,27H,8-9,26H2,1-3H3,(H,28,29)

Molecular Properties:
- Polar Surface Area: 98.6 Ų
- LogP: 4.6