Molecule ID: 5013

IUPAC Name: 2-(4-methylpiperazin-1-yl)quinoline

Description: The molecule is an aminoquinoline that consists of quinoline in which the hydrogen at position 2 is substituted by a 4-methylpiperazin-1-yl group. A 5-HT3 agonist. Has almost the same affinity for 5-HT3 sites as quipazine but unlike the latter, does not bind to 5-HT1B sites. It has a role as a serotonergic agonist. It is a N-alkylpiperazine, a N-arylpiperazine and an aminoquinoline.

SMILES: CN1CCN(c2ccc3ccccc3n2)CC1

SELFIES: [C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring1][S]

InChI: InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3

Molecular Properties:
- Polar Surface Area: 19.4 Ų
- LogP: 2.0