2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0164 |
| Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 576.35 |
| Molecular Formula: | C25 H27 Cl N4 O3 |
| Salt: | 3HCl |
| Smiles: | CC(C)C(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1cc(ccc1C)[Cl])C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2072 |
| logD: | 3.2631 |
| logSw: | -5.8044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.215 |
| InChI Key: | AEGDOFLHBIBECR-UHFFFAOYSA-N |