Molecule ID: 68633745

IUPAC Name: 4-[[3-[(4-chlorophenyl)methyl]-2-methoxyquinolin-6-yl]methyl]piperazine-1-carboximidamide

Description: The molecule is a member of the class of quinolines that is 2-methoixyquinoline carrying additional 4-chlorobenzyl and (4-carboxamidinopiperidin-1-yl)methyl substituents at positions 3 and 6 respectively. It has a role as an apoptosis inducer and an antifungal agent. It is a member of guanidines, a member of piperazines, a member of quinolines, an aromatic ether and a member of monochlorobenzenes.

SMILES: COc1nc2ccc(CN3CCN(C(=N)N)CC3)cc2cc1Cc1ccc(Cl)cc1

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

InChI: InChI=1S/C23H26ClN5O/c1-30-22-19(12-16-2-5-20(24)6-3-16)14-18-13-17(4-7-21(18)27-22)15-28-8-10-29(11-9-28)23(25)26/h2-7,13-14H,8-12,15H2,1H3,(H3,25,26)

Molecular Properties:
- Polar Surface Area: 78.5 Ų
- LogP: 3.7