TL;DR: 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide (CAS 159831-76-2) is a chemical compound with molecular formula C16H10ClFN4O2 and molecular weight 344.04764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-6-fluoro-4-[(4-hydroxyphenyl)methylideneamino]cinnoline-3-carboxamide
Also Known As: 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide, 3-Cinnolinecarboxamide, 7-chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-, 7-Chloro-6-fluoro-4-((4-hydroxybenzylidene)amino)cinnoline-3-carboxamide, 7-chloro-6-fluoro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)meth, 7-chloro-6-fluoro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]cinnoline-3-carboxamide
| Molecular Formula | C16H10ClFN4O2 |
| Molecular Weight | 344.04764 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.04764 Da |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
| SMILES | C1=CC(=CC=C1C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)N)O |
| InChIKey | UXMSRJGGHKJSKK-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide. Following Lipinski's Rule of Five, 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide 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 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide is 159831-76-2.
The molecular formula of 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide is C16H10ClFN4O2.
The molecular weight of 7-Chloro-6-fluoro-4-(((4-hydroxyphenyl)methylene)amino)-3-cinnolinecarboxamide is 344.04764 g/mol.
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