HuagongsheHuagongshe Chemistry Print Report · For research reference only
CID 45434686
1-Cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)acetyl]-1-piperazinyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid · 1-Cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)-acetyl]piperazin-1-yl]-1,4-dihydro-4-oxo-quinolin-3-carboxylic acid · 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)acetyl]-1-piperazinyl]-1,4-dihydro-4-oxo-
Identifiers & Physical Properties
| CAS No. | 1054130-85-6 |
|---|---|
| Molecular formula | C25H23F2N3O5 |
| Average molar mass | 483.5 g/mol |
| Monoisotopic mass | 483.16057717 g/mol |
| SMILES | O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)c(F)cc2c1=O |
| InChIKey | IZGXPQQKIFQITK-UHFFFAOYSA-N |
| PubChem CID | 45434686 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 90.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 6 |
| Heavy atoms | 35 |
| Formal charge | 0 |
| Complexity | 865 |
| Boiling point | 745.1±60.0 °C(Predicted) |
| Density | 1.484±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.44±0.41(Predicted) |