2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2,2-dimethylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2,2-dimethylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2,2-dimethylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0401 |
| Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2,2-dimethylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 590.38 |
| Molecular Formula: | C26 H29 Cl N4 O3 |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NC(C(C)(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4579 |
| logD: | 3.5138 |
| logSw: | -5.9599 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.215 |
| InChI Key: | JSPVHSWBMQFJNU-UHFFFAOYSA-N |