2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0261 |
| Compound Name: | 2-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 578.97 |
| Molecular Formula: | C25 H35 N5 O4 |
| Salt: | 3HCl |
| Smiles: | CCCCNC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3569 |
| logD: | 1.4128 |
| logSw: | -3.9932 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.168 |
| InChI Key: | VBEMOSXDIWCNAN-UHFFFAOYSA-N |