2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2,2-dimethylpropanamido)quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2,2-dimethylpropanamido)quinoline-4-carboxylic acid
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(2,2-dimethylpropanamido)quinoline-4-carboxylic acid
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 |
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 |