TL;DR: 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo- (CAS 108086-43-7) is a chemical compound with molecular formula C16H12N4O4 and molecular weight 324.08585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-nitrophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
Also Known As: 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo-, N-(3-Nitrophenyl)-4-oxo-3(4H)-quinazolineacetamide, N-(3-nitrophenyl)-2-(4-oxoquinazolin-3-yl)acetamide, N-(3-nitrophenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide, N-(3-NITROPHENYL)-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)ACETAMIDE
| Molecular Formula | C16H12N4O4 |
| Molecular Weight | 324.08585 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.08585 Da |
| Heavy Atoms | 24 |
| Complexity | 545.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | UQFMSYDQKLRBHG-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo-. Following Lipinski's Rule of Five, 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo- is 108086-43-7.
The molecular formula of 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo- is C16H12N4O4.
The molecular weight of 3(4H)-Quinazolineacetamide, N-(3-nitrophenyl)-4-oxo- is 324.08585 g/mol.
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