2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0247 |
| Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 590.38 |
| Molecular Formula: | C26 H29 Cl N4 O3 |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1cc(ccc1C)[Cl])C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6651 |
| logD: | 3.721 |
| logSw: | -5.9505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.002 |
| InChI Key: | XWNFCRPQOXEZLD-UHFFFAOYSA-N |