6-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0442 |
| Compound Name: | 6-acetamido-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 548.29 |
| Molecular Formula: | C23 H23 Cl N4 O3 |
| Salt: | 3HCl |
| Smiles: | CC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1cc(ccc1C)[Cl])C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2371 |
| logD: | 2.293 |
| logSw: | -5.2711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.115 |
| InChI Key: | BBFCAVQWLHKOOC-UHFFFAOYSA-N |