2-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
Formula:C22H16N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide is a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C22H16N4O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C22H16N4O/c27-22(26-24-15-16-10-12-23-13-11-16)19-14-21(17-6-2-1-3-7-17)25-20-9-5-4-8-18(19)20/h1-15H,(H,26,27) |
| InChIK | MIKIRNAFHHRGEI-UHFFFAOYSA-N |
| TotalMolweight | 352.396 |
| Molweight | 352.396 |
| MonoisotopicMass | 352.132411 |
| CLogP | 4.2669 |
| CLogS | -5.41 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.87 |
| Relative PSA | 0.2078 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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