N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H16N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H16N3OBr |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C23H16BrN3O/c24-20-12-6-4-10-17(20)15-25-27-23(28)19-14-22(16-8-2-1-3-9-16)26-21-13-7-5-11-18(19)21/h1-15H,(H,27,28) |
| InChIK | VJTWVRGIXPPDDH-UHFFFAOYSA-N |
| TotalMolweight | 430.304 |
| Molweight | 430.304 |
| MonoisotopicMass | 429.047673 |
| CLogP | 5.993 |
| CLogS | -7.039 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.74 |
| Relative PSA | 0.15726 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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