6-butanamido-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-butanamido-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-butanamido-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0037 |
| Compound Name: | 6-butanamido-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 555.93 |
| Molecular Formula: | C26 H30 N4 O3 |
| Salt: | 3HCl |
| Smiles: | CCCC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1cccc(C)c1C)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0631 |
| logD: | 3.119 |
| logSw: | -5.3973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.002 |
| InChI Key: | DIPKBSXEGXPVJH-UHFFFAOYSA-N |