TL;DR: Quinolone der. (CAS 164662-51-5) is a chemical compound with molecular formula C22H20Cl2FN3O3 and molecular weight 463.08658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dichlorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: Quinolone der., 3-Quinolinecarboxylic acid, 1-(2,4-dichlorophenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-, 1-(2,4-Dichlorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-(2,4-Dichlorophenyl)-6-fluoro-7-(3,5-dimethyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, 1-(2,4-dichlorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
| Molecular Formula | C22H20Cl2FN3O3 |
| Molecular Weight | 463.08658 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.08658 Da |
| Heavy Atoms | 31 |
| Complexity | 744.0 |
| SMILES | CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl)F |
| InChIKey | NWTWOYMYGSVYDB-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolone der.. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolone der.. Following Lipinski's Rule of Five, Quinolone der. has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinolone der. is 164662-51-5.
The molecular formula of Quinolone der. is C22H20Cl2FN3O3.
The molecular weight of Quinolone der. is 463.08658 g/mol.
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