3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride
TL;DR: 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride (CAS 1082737-94-7) is a chemical compound with molecular formula C20H18Cl2N2O4 and molecular weight 420.06436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
Also Known As: 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride, 3-[(6-chloro-3-ethoxycarbonyl-8-methyl-quinolin-4-yl)amino]benzoic Acid Hydrochloride, 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]benzoic acid hydrochloride
Technical Specifications
| Molecular Formula | C20H18Cl2N2O4 |
| Molecular Weight | 420.06436 g/mol |
| XLogP | 5.23692 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.06436 Da |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
| SMILES | CCOC(=O)C1=CN=C2C(=CC(=CC2=C1NC3=CC=CC(=C3)C(=O)O)Cl)C.Cl |
| InChIKey | BQFKIIBLLMWTNM-UHFFFAOYSA-N |
Chemical Property Profile of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride
Property Insights of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride
The XLogP value of 5.23692 indicates that 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride. Following Lipinski's Rule of Five, 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride?
The CAS number of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride is 1082737-94-7.
What is the molecular formula of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride?
The molecular formula of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride is C20H18Cl2N2O4.
What is the molecular weight of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride?
The molecular weight of 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride is 420.06436 g/mol.
Where can I buy 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride?
You can request a quote for 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-((6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl)amino)benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.