A1D6D
Summary
| Name: | 4-(2-chloranyl-6-fluoranyl-quinazolin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one |
| Formula: | C17 H12 Cl F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 358.754 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-chloranyl-6-fluoranyl-quinazolin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H12ClFN4O2/c1-25-10-3-5-14-13(7-10)20-15(24)8-23(14)16-11-6-9(19)2-4-12(11)21-17(18)22-16/h2-7H,8H2,1H3,(H,20,24) |
| InChIKey | InChI | 1.06 | CKELETCMFVMWNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccc(F)cc34 |
| SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4ccc(F)cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4cc(ccc4nc(n3)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4cc(ccc4nc(n3)Cl)F |
