TL;DR: 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid (CAS 1204997-04-5) is a chemical compound with molecular formula C11H8N2O6 and molecular weight 264.03824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic Acid, 4-hydroxy-8-methoxy-6-nitroquinoline-3-carboxylic acid
| Molecular Formula | C11H8N2O6 |
| Molecular Weight | 264.03824 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.03824 Da |
| Heavy Atoms | 19 |
| Complexity | 455.0 |
| SMILES | COC1=CC(=CC2=C1NC=C(C2=O)C(=O)O)[N+](=O)[O-] |
| InChIKey | UTAHMBDEGBBTSA-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid 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 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid is 1204997-04-5.
The molecular formula of 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid is C11H8N2O6.
The molecular weight of 8-methoxy-6-nitro-4-oxo-1H-quinoline-3-carboxylic acid is 264.03824 g/mol.
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