N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]quinoline-2-carboxamide
Formula:C31H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C31H25N3O3 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C31H25N3O3/c35-31(28-17-16-26-13-7-8-14-27(26)33-28)34-32-20-25-15-18-29(36-21-23-9-3-1-4-10-23)30(19-25)37-22-24-11-5-2-6-12-24/h1-20H,21-22H2,(H,34,35) |
| InChIK | GWRAEVHNILYFAC-UHFFFAOYSA-N |
| TotalMolweight | 487.558 |
| Molweight | 487.558 |
| MonoisotopicMass | 487.189592 |
| CLogP | 6.2678 |
| CLogS | -7.133 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 387.39 |
| Relative PSA | 0.1729 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.0205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]quinoline-2-carboxamide | 2 - N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]quinoline-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off