Molecule ID: 2754

IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

Description: The molecule is a lactam that is 3,4-dihydroquinolin-2(1H)-one in which the hydrogen at position 6 is substituted by a 4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy group. It has a role as a bronchodilator agent, a vasodilator agent, a fibrin modulating drug, a platelet aggregation inhibitor, a neuroprotective agent, an anticoagulant and an EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor. It is a member of tetrazoles and a lactam.

SMILES: O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1

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

InChI: InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)

Molecular Properties:
- Polar Surface Area: 81.9 Ų
- LogP: 3.1