TL;DR: 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid (CAS 132600-23-8) is a chemical compound with molecular formula C22H18ClNO4 and molecular weight 395.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
Also Known As: 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid, 3-(4-(4-chlorophenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl)benzoic acid
| Molecular Formula | C22H18ClNO4 |
| Molecular Weight | 395.09244 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.09244 Da |
| Heavy Atoms | 28 |
| Complexity | 695.0 |
| SMILES | C1CC2=C(C(CC(=O)N2C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Cl)C(=O)C1 |
| InChIKey | DXYABYVYJGLWDU-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid. Following Lipinski's Rule of Five, 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid is 132600-23-8.
The molecular formula of 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid is C22H18ClNO4.
The molecular weight of 3-[4-(4-chlorophenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic Acid is 395.09244 g/mol.
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