6-(4-methylbenzamido)-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-(4-methylbenzamido)-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-(4-methylbenzamido)-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0025 |
| Compound Name: | 6-(4-methylbenzamido)-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 598.96 |
| Molecular Formula: | C27 H31 N5 O4 |
| Salt: | 3HCl |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4133 |
| logD: | 1.4692 |
| logSw: | -4.092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.242 |
| InChI Key: | ALQAEAGJJQIRAF-UHFFFAOYSA-N |