N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
Formula:C18H17N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide |
| MolecularFormula | C18H17N3OF2 |
| Smiles | O=C(CN(CCC1)c2c1cccc2)N/N=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C18H17F2N3O/c19-15-8-7-14(16(20)10-15)11-21-22-18(24)12-23-9-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-8,10-11H,3,5,9,12H2,(H,22,24) |
| InChIK | NDLABIRJJDRIQU-UHFFFAOYSA-N |
| TotalMolweight | 329.349 |
| Molweight | 329.349 |
| MonoisotopicMass | 329.133968 |
| CLogP | 3.4239 |
| CLogS | -4.766 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.53 |
| Relative PSA | 0.15728 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.1687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide | 2 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
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