PWP
Summary
| Name: | 6-fluoroquinazolin-4(3H)-one |
| Formula: | C8 H5 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 164.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-fluoroquinazolin-4(3H)-one |
| OpenEye OEToolkits | 2.0.6 | 6-fluoranyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2C(c1cc(F)ccc1N=C2)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | WCSMZAHKVXOYLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2N=CNC(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Fc1ccc2N=CNC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)C(=O)NC=N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)C(=O)NC=N2 |
