HIT ID: HIT212666569
Cas No: 1144504-35-7
分子式: C22H20N4O3
分子量: 388.427
常用名: PQCA
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: -1.5945017
IUPAC: 1-{[4-cyano-4-(pyridin-2-yl)piperidin-1-yl]methyl}-4-oxo-4H-quinolizine-3-carboxylic acid
IUPAC: 1-{[4-cyano-4-(pyridin-2-yl)piperidin-1-yl]methyl}-4-oxo-4H-quinolizine-3-carboxylic acid
SMILES: OC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O
SMILES: OC(=O)c1cc(CN2CCC(CC2)(C#N)c2ccccn2)c2ccccn2c1=O
InChI key: RJTJRVASUFIDQM-UHFFFAOYSA-N
