2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0254 |
| Compound Name: | 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 571.93 |
| Molecular Formula: | C26 H30 N4 O4 |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccc(cc1)OC)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4864 |
| logD: | 2.5423 |
| logSw: | -5.5251 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.847 |
| InChI Key: | AQXNLENCHBFKQS-UHFFFAOYSA-N |