7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 111185-91-2) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: 4-hydroxy-7,8-dimethylquinoline-3-carboxylic acid, 7,8-Dimethyl-4-hydroxyquinoline-3-carboxylic acid, 7,8-dimethyl-4-oxo-1H-quinoline-3-carboxylic Acid, 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 3-Quinolinecarboxylicacid,4-hydroxy-7,8-dimethyl-(9CI)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.0739 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.0739 Da |
| Heavy Atoms | 16 |
| Complexity | 361.0 |
| SMILES | CC1=C(C2=C(C=C1)C(=O)C(=CN2)C(=O)O)C |
| InChIKey | NDYCTYRHTJYACP-UHFFFAOYSA-N |
Chemical Property Profile of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 111185-91-2.
What is the molecular formula of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C12H11NO3.
What is the molecular weight of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 217.0739 g/mol.
Where can I buy 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 7,8-Dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.