Molecule ID: 4908

IUPAC Name: 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

Description: The molecule is an N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia. It has a role as an antimalarial. It is an aminoquinoline, a N-substituted diamine and an aromatic ether.

SMILES: COc1cc(NC(C)CCCN)c2ncccc2c1

SELFIES: [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P]

InChI: InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3

Molecular Properties:
- Polar Surface Area: 60.2 Ų
- LogP: 2.2