TL;DR: 1-(3-{[2-(Pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one (CAS 1118807-60-5) is a chemical compound with molecular formula C21H16N4O and molecular weight 340.13242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanone
Also Known As: 1-[3-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]ethanone, 1-(3-{[2-(pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one
| Molecular Formula | C21H16N4O |
| Molecular Weight | 340.13242 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.13242 Da |
| Heavy Atoms | 26 |
| Complexity | 485.0 |
| SMILES | CC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 |
| InChIKey | OKRMIOKQUOUFAU-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1-(3-{[2-(Pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-{[2-(Pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(3-{[2-(Pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one 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 1-(3-{[2-(Pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one is 1118807-60-5.
The molecular formula of 1-(3-{[2-(Pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one is C21H16N4O.
The molecular weight of 1-(3-{[2-(Pyridin-3-yl)quinazolin-4-yl]amino}phenyl)ethan-1-one is 340.13242 g/mol.
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