TL;DR: 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline (CAS 110719-57-8) is a chemical compound with molecular formula C17H18FN3O2 and molecular weight 315.1383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbaldehyde
Also Known As: 1-Cffopq, 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline, 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbaldehyde, 1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carbaldehyde, 3-Quinolinecarboxaldehyde,1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
| Molecular Formula | C17H18FN3O2 |
| Molecular Weight | 315.1383 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.1383 Da |
| Heavy Atoms | 23 |
| Complexity | 528.0 |
| SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C=O |
| InChIKey | VONPFCWZOZLFSZ-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline. With a topological polar surface area (TPSA) of 52.7 Ų, 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline is 110719-57-8.
The molecular formula of 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline is C17H18FN3O2.
The molecular weight of 1-Cyclopropyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline is 315.1383 g/mol.
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