N-[(Z)-(2,4-diphenyl-3-tricyclo[3.2.1.02,4]oct-6-enyl)methylideneamino]quinoline-2-carboxamide
Formula:C31H25N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-diphenyl-3-tricyclo[3.2.1.02,4]oct-6-enyl)methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-diphenyl-3-tricyclo[3.2.1.02,4]oct-6-enyl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C31H25N3O |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\C(C1(C2C=CC3C2)c2ccccc2)C13c1ccccc1 |
| InChI | InChI=1S/C31H25N3O/c35-29(27-18-15-21-9-7-8-14-26(21)33-27)34-32-20-28-30(22-10-3-1-4-11-22)24-16-17-25(19-24)31(28,30)23-12-5-2-6-13-23/h1-18,20,24-25,28H,19H2,(H,34,35) |
| InChIK | CRUOPDNYDLRRIC-UHFFFAOYSA-N |
| TotalMolweight | 455.56 |
| Molweight | 455.56 |
| MonoisotopicMass | 455.199762 |
| CLogP | 5.1866 |
| CLogS | -7.297 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 338.19 |
| Relative PSA | 0.13892 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.7682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 10 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - N-[(Z)-(2,4-diphenyl-3-tricyclo[3.2.1.02,4]oct-6-enyl)methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-(2,4-diphenyl-3-tricyclo[3.2.1.02,4]oct-6-enyl)methylideneamino]quinoline-2-carboxamide
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