TL;DR: N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide (CAS 154411-16-2) is a chemical compound with molecular formula C17H11N3O2 and molecular weight 289.0851 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-cyano-4-oxoquinolizin-3-yl)benzamide
Also Known As: N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide, N-(1-cyano-4-oxoquinolizin-3-yl)benzamide, N-(1-cyano-4-oxo-4H-quinolizin-3-yl)benzenecarboxamide, cyanooxoquinolizinylbenzenecarboxamide, 4825AD
| Molecular Formula | C17H11N3O2 |
| Molecular Weight | 289.0851 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0851 Da |
| Heavy Atoms | 22 |
| Complexity | 682.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC(=C3C=CC=CN3C2=O)C#N |
| InChIKey | LVLHJOFADPSZQM-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide. Following Lipinski's Rule of Five, N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide is 154411-16-2.
The molecular formula of N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide is C17H11N3O2.
The molecular weight of N-(1-Cyano-4-oxo-4H-quinolizin-3-yl)benzamide is 289.0851 g/mol.
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