6-(2-chlorobenzamido)-2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-(2-chlorobenzamido)-2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-(2-chlorobenzamido)-2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0009 |
| Compound Name: | 6-(2-chlorobenzamido)-2-{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 605.35 |
| Molecular Formula: | C25 H26 Cl N5 O4 |
| Salt: | 3HCl |
| Smiles: | CN(C)C(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1211 |
| logD: | 0.177 |
| logSw: | -3.4583 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.27 |
| InChI Key: | VYCXEVURIAPHLR-UHFFFAOYSA-N |