N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
Formula:C22H15N4OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide |
| MolecularFormula | C22H15N4OF |
| Smiles | O=C(c1cc(-c2cnccc2)nc2ccccc12)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C22H15FN4O/c23-17-9-7-15(8-10-17)13-25-27-22(28)19-12-21(16-4-3-11-24-14-16)26-20-6-2-1-5-18(19)20/h1-14H,(H,27,28) |
| InChIK | ZNMFLNLQDZKDOS-UHFFFAOYSA-N |
| TotalMolweight | 370.386 |
| Molweight | 370.386 |
| MonoisotopicMass | 370.122989 |
| CLogP | 4.3677 |
| CLogS | -5.724 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.22 |
| Relative PSA | 0.20318 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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