DFQ
Summary
| Name: | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide |
| Synonyms: | (E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-quinolin-3-yl}-n-methyl-acrylamide |
| Formula: | C21 H17 Cl2 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 419.276 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide |
| OpenEye OEToolkits | 1.6.1 | (E)-3-[6-[(1R)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]quinolin-3-yl]-N-methyl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1ccc(F)c(Cl)c1C(Oc2ccc3ncc(cc3c2)\C=C\C(=O)NC)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)\C=C\c1cnc2ccc(O[C@H](C)c3c(Cl)ccc(F)c3Cl)cc2c1 |
| SMILES | CACTVS | 3.352 | CNC(=O)C=Cc1cnc2ccc(O[CH](C)c3c(Cl)ccc(F)c3Cl)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)/C=C/C(=O)NC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(c1c(ccc(c1Cl)F)Cl)Oc2ccc3c(c2)cc(cn3)C=CC(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C21H17Cl2FN2O2/c1-12(20-16(22)5-6-17(24)21(20)23)28-15-4-7-18-14(10-15)9-13(11-26-18)3-8-19(27)25-2/h3-12H,1-2H3,(H,25,27)/b8-3+/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | WADWCVLVMLDBOV-STWLFGJUSA-N |
