TL;DR: 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate (CAS 1009336-03-1) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl] acetate
Also Known As: 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate, [4-(2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl] acetate, 2(1H)-Quinoxalinone, 4-[4-(acetyloxy)benzoyl]-3,4-dihydro-3-methyl-, 4-(2-methyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carbonyl)phenyl acetate, 4-(2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl acetate
| Molecular Formula | C18H16N2O4 |
| Molecular Weight | 324.111 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.111 Da |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
| SMILES | CC1C(=O)NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OC(=O)C |
| InChIKey | ZXFOHYGXNPCCOH-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate. Following Lipinski's Rule of Five, 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate 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 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate is 1009336-03-1.
The molecular formula of 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate is C18H16N2O4.
The molecular weight of 4-{[2-methyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]carbonyl}phenyl acetate is 324.111 g/mol.
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