2-(4-bromophenyl)-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
Formula:C22H15N4OBr
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
2-(4-bromophenyl)-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C22H15N4OBr |
| Smiles | O=C(c1cc(-c(cc2)ccc2Br)nc2ccccc12)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C22H15BrN4O/c23-16-10-8-15(9-11-16)21-13-19(18-6-1-2-7-20(18)26-21)22(28)27-25-14-17-5-3-4-12-24-17/h1-14H,(H,27,28) |
| InChIK | NKOYTTWZDJNKOM-UHFFFAOYSA-N |
| TotalMolweight | 431.292 |
| Molweight | 431.292 |
| MonoisotopicMass | 430.042922 |
| CLogP | 5.0461 |
| CLogS | -6.268 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.5 |
| Relative PSA | 0.19479 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 2.6787 |
| Mutagenic | low |
| 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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