Molecule ID: 28241

IUPAC Name: N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-diamine

Description: The molecule is a member of the class of aminoacridines that is acridine which is substituted by a methoxy group at position 2, chlorine at position 6, and a {3-[(2-chloroethyl)amino]propyl}amino group at position 9. It has a role as a mutagen. It is a member of aminoacridines, a secondary amino compound, an organochlorine compound and an aromatic ether. It is a conjugate base of an acridine half-mustard(2+).

SMILES: COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCCNCCCl)c2c1

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

InChI: InChI=1S/C19H21Cl2N3O/c1-25-14-4-6-17-16(12-14)19(23-9-2-8-22-10-7-20)15-5-3-13(21)11-18(15)24-17/h3-6,11-12,22H,2,7-10H2,1H3,(H,23,24)

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 5.2