2-(3-bromophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide
Formula:C29H20N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(3-bromophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(3-bromophenyl)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C29H20N3O2Br |
| Smiles | O=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C29H20BrN3O2/c30-22-10-7-9-21(17-22)28-18-26(25-14-4-5-15-27(25)32-28)29(34)33-31-19-20-8-6-13-24(16-20)35-23-11-2-1-3-12-23/h1-19H,(H,33,34) |
| InChIK | WVIYWZSXPGUHQM-UHFFFAOYSA-N |
| TotalMolweight | 522.401 |
| Molweight | 522.401 |
| MonoisotopicMass | 521.073888 |
| CLogP | 7.3886 |
| CLogS | -9.336 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 368.5 |
| Relative PSA | 0.15463 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.5293 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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