Molecule ID: 135886618

IUPAC Name: 2-[(E)-2-quinolin-2-ylethenyl]phenol;hydrochloride

Description: The molecule is a hydrochloride salt resulting from the formal reaction of equimolar amounts of quininib and hydrogen chloride. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. It has a role as an angiogenesis inhibitor. It contains a quininib(1+).

SMILES: Cl.Oc1ccccc1/C=C/c1ccc2ccccc2n1

SELFIES: [Cl].[O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]

InChI: InChI=1S/C17H13NO.ClH/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15;/h1-12,19H;1H/b12-10+;

Molecular Properties:
- Polar Surface Area: 33.1 Ų
- LogP: nan