HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(2-Methylphenyl)quinazolin-4(1H)-one
1-(o-Tolyl)quinazolin-4(1H)-one · (methyl-2 phenyl)-1 1H-quinazolinone-4 · 4(1H)-Quinazolinone, 1-(2-methylphenyl)-
Identifiers & Physical Properties
| CAS No. | 90071-27-5 |
|---|---|
| Molecular formula | C15H12N2O |
| Average molar mass | 236.27 g/mol |
| Monoisotopic mass | 236.09496301 g/mol |
| SMILES | Cc1ccccc1-n1cnc(=O)c2ccccc21 |
| InChIKey | KPSVFPFPMXPPNY-UHFFFAOYSA-N |
| PubChem CID | 13402149 |
| DTXSID | DTXSID30539616 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 32.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 352 |
| Melting point | 173 °C |
| Boiling point | 400.8±38.0 °C(Predicted) |
| Density | 1.17±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.73±0.20(Predicted) |