6-(3-methylbutanamido)-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-(3-methylbutanamido)-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-(3-methylbutanamido)-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: | F724-0260 |
| Compound Name: | 6-(3-methylbutanamido)-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 564.94 |
| Molecular Formula: | C24 H33 N5 O4 |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)CC(NC(C)C)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7881 |
| logD: | 0.844 |
| logSw: | -3.9819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.3 |
| InChI Key: | ZLVLVYDTFODFFU-UHFFFAOYSA-N |