2-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0196 |
| Compound Name: | 2-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-6-(2-methylpropanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 590.98 |
| Molecular Formula: | C26 H35 N5 O4 |
| Salt: | 3HCl |
| Smiles: | CC(C)C(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)CC(N1CCCCCC1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6547 |
| logD: | 0.7106 |
| logSw: | -3.8084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.52 |
| InChI Key: | KYDWHADJIIKKQB-UHFFFAOYSA-N |