2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0158 |
| Compound Name: | 2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 523.84 |
| Molecular Formula: | C21 H26 N4 O5 |
| Salt: | 3HCl |
| Smiles: | CCOC(N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NC(C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.827 |
| logD: | 0.8829 |
| logSw: | -3.818 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.036 |
| InChI Key: | PDLMFWSJBUWPOP-UHFFFAOYSA-N |