TL;DR: 4-Hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid (CAS 133747-57-6) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: 4-hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid, 5,8-Dimethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 5,8-Dimethoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid, BAS 01833074
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H11NO5 |
| Molecular Weight | 249.06372 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.06372 Da |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
| SMILES | COC1=C2C(=C(C=C1)OC)NC=C(C2=O)C(=O)O |
| InChIKey | UMRUDNVGDOZXDW-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid has 2 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 4-Hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid is 133747-57-6.
The molecular formula of 4-Hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid is C12H11NO5.
The molecular weight of 4-Hydroxy-5,8-dimethoxyquinoline-3-carboxylic acid is 249.06372 g/mol.
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