PWA
Summary
Name: | 7-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 | 7-fluoroquinazolin-4(3H)-one |
OpenEye OEToolkits | 2.0.6 | 7-fluoranyl-3~{H}-quinazolin-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1C(c2c(N=C1)cc(cc2)F)=O |
InChI | InChI | 1.03 | InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12) |
InChIKey | InChI | 1.03 | KCORZHJVTZIZFD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2C(=O)NC=Nc2c1 |
SMILES | CACTVS | 3.385 | Fc1ccc2C(=O)NC=Nc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)N=CNC2=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1F)N=CNC2=O |