N-[(Z)-(4-bromophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C18H14N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C18H14N3O2Br |
| Smiles | O=C(COc1cccc2cccnc12)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H14BrN3O2/c19-15-8-6-13(7-9-15)11-21-22-17(23)12-24-16-5-1-3-14-4-2-10-20-18(14)16/h1-11H,12H2,(H,22,23) |
| InChIK | WFLHDAVCZVJCRI-UHFFFAOYSA-N |
| TotalMolweight | 384.232 |
| Molweight | 384.232 |
| MonoisotopicMass | 383.026938 |
| CLogP | 3.8177 |
| CLogS | -5.041 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 262.74 |
| Relative PSA | 0.21687 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.4066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
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