N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-2-carboxamide
Formula:C17H12N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C17H12N3OF |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H12FN3O/c18-14-8-5-12(6-9-14)11-19-21-17(22)16-10-7-13-3-1-2-4-15(13)20-16/h1-11H,(H,21,22) |
| InChIK | HNFLTVHWPKGGLA-UHFFFAOYSA-N |
| TotalMolweight | 293.3 |
| Molweight | 293.3 |
| MonoisotopicMass | 293.09644 |
| CLogP | 3.6724 |
| CLogS | -4.765 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.7 |
| Relative PSA | 0.20723 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off