WQG
Summary
| Name: | quinazolin-4(3H)-one |
| Formula: | C8 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 146.146 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | quinazolin-4(3H)-one |
| OpenEye OEToolkits | 2.0.7 | 3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2C=Nc1c(cccc1)C2=O |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | QMNUDYFKZYBWQX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC=Nc2ccccc12 |
| SMILES | CACTVS | 3.385 | O=C1NC=Nc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC=N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC=N2 |
