2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C19H18N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C19H18N3OF3 |
| Smiles | O=C(CN(CCC1)c2c1cccc2)N/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C19H18F3N3O/c20-19(21,22)16-8-3-5-14(11-16)12-23-24-18(26)13-25-10-4-7-15-6-1-2-9-17(15)25/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,24,26) |
| InChIK | OOFFLGQUQZNMAD-UHFFFAOYSA-N |
| TotalMolweight | 361.366 |
| Molweight | 361.366 |
| MonoisotopicMass | 361.140196 |
| CLogP | 4.0706 |
| CLogS | -4.916 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.29 |
| Relative PSA | 0.14745 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | -1.6813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
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