HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Cyclopropyl-6-fluoro-8-methoxy-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Acenocoumarol Impurity 19 · 1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-((methylamino)methyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid · 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-7-[3-[(MethylaMino)Methyl]-1-pyrrolidinyl]-4-oxo-
![1-Cyclopropyl-6-fluoro-8-methoxy-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid molecular structure](/img/chemical/483413.png)
Identifiers & Physical Properties
| CAS No. | 112811-75-3 |
|---|---|
| Molecular formula | C20H24FN3O4 |
| Average molar mass | 389.4 g/mol |
| Monoisotopic mass | 389.17508442 g/mol |
| SMILES | CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1 |
| InChIKey | ITLUJXOWXJGURR-UHFFFAOYSA-N |
| PubChem CID | 483413 |
| DTXSID | DTXSID30920909 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 82.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 6 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 668 |
| Boiling point | 600.4±55.0 °C(Predicted) |
| Density | 1.374±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 6.42±0.50(Predicted) |