6-butanamido-2-[4-(ethoxycarbonyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-butanamido-2-[4-(ethoxycarbonyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-butanamido-2-[4-(ethoxycarbonyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0032 |
| Compound Name: | 6-butanamido-2-[4-(ethoxycarbonyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 523.84 |
| Molecular Formula: | C21 H26 N4 O5 |
| Salt: | 3HCl |
| Smiles: | CCCC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)C(=O)OCC)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.842 |
| logD: | 0.8979 |
| logSw: | -3.8315 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.823 |
| InChI Key: | SWZQOWZHYLZPOH-UHFFFAOYSA-N |