N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
Formula:C30H21N3O2F2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide |
| MolecularFormula | C30H21N3O2F2 |
| Smiles | O=C(c1cc(-c(cc2)ccc2-c2ccccc2)nc2ccccc12)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C30H21F2N3O2/c31-30(32)37-28-13-7-4-10-23(28)19-33-35-29(36)25-18-27(34-26-12-6-5-11-24(25)26)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-19,30H,(H,35,36) |
| InChIK | MHZIMIQCSBTUSX-UHFFFAOYSA-N |
| TotalMolweight | 493.512 |
| Molweight | 493.512 |
| MonoisotopicMass | 493.160183 |
| CLogP | 7.0964 |
| CLogS | -8.913 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 375.07 |
| Relative PSA | 0.15192 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.5305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off