7JJ
Summary
| Name: | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
| Synonyms: | 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one |
| Formula: | C14 H8 Cl F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 290.677 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H8ClFN2O2/c15-12-9(7-1-3-8(16)4-2-7)5-10(19)13-11(12)14(20)18-6-17-13/h1-6,19H,(H,17,18,20) |
| InChIKey | InChI | 1.03 | ZRBUMFCLSOEMBA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2cc(c3c(c2Cl)C(=O)NC=N3)O)F |
