N-[(Z)-(4-cyanophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
Formula:C23H15N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide |
| MolecularFormula | C23H15N5O |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(-c3cnccc3)nc3ccccc23)=O)cc1 |
| InChI | InChI=1S/C23H15N5O/c24-13-16-7-9-17(10-8-16)14-26-28-23(29)20-12-22(18-4-3-11-25-15-18)27-21-6-2-1-5-19(20)21/h1-12,14-15H,(H,28,29) |
| InChIK | RJBCRQGROJFRQA-UHFFFAOYSA-N |
| TotalMolweight | 377.406 |
| Molweight | 377.406 |
| MonoisotopicMass | 377.12766 |
| CLogP | 4.1025 |
| CLogS | -6.183 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.58 |
| Relative PSA | 0.23791 |
| PolarSurfaceArea | 91.03 |
| Druglikeness | 0.18871 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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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