HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one
3-amino-2-[(2-methylphenoxy)methyl]-4(3H)-quinazolinone · 4(3H)-Quinazolinone, 3-amino-2-[(2-methylphenoxy)methyl]-
![3-Amino-2-[(2-methylphenoxy)methyl]quinazolin-4-one molecular structure](/img/chemical/178817841.png)
Identifiers & Physical Properties
| CAS No. | 276687-52-6 |
|---|---|
| Molecular formula | C16H15N3O2 |
| Average molar mass | 281.31 g/mol |
| SMILES | Cc1ccccc1OCc1nc2ccccc2c(=O)n1N |
| InChIKey | MNGVORPYHMNFDM-UHFFFAOYSA-N |
| ChEMBL | CHEMBL1331087 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 67.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 424 |
| Boiling point | 485.3±47.0 °C(Predicted) |
| Density | 1.27±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | -1.63±0.70(Predicted) |