Molecule ID: 9802841

IUPAC Name: N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide

Description: The molecule is an aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4). It has a role as a phosphodiesterase IV inhibitor. It is a member of pyridine N-oxides, a chloropyridine, a monocarboxylic acid amide, a member of quinolines, an aromatic ether, an aromatic amide and an organofluorine compound.

SMILES: COc1ccc(C(=O)N=c2c(Cl)cn(O)cc2Cl)c2ccc(C(F)(F)F)nc12

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

InChI: InChI=1S/C17H10Cl2F3N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7,27H,1H3

Molecular Properties:
- Polar Surface Area: 75.0 Ų
- LogP: 4.3