3F4
Summary
| Name: | 2-(4-hydroxyphenyl)-3H-quinazolin-4-one |
| Formula: | C14 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 238.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-hydroxyphenyl)quinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.9.2 | 2-(4-hydroxyphenyl)-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3ccccc3N=C(c1ccc(O)cc1)N2 |
| InChI | InChI | 1.03 | InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18) |
| InChIKey | InChI | 1.03 | HMZVOPJPTNTGGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O |
