N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H16N3OI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H16N3OI |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1cccc(I)c1 |
| InChI | InChI=1S/C23H16IN3O/c24-18-10-6-7-16(13-18)15-25-27-23(28)20-14-22(17-8-2-1-3-9-17)26-21-12-5-4-11-19(20)21/h1-15H,(H,27,28) |
| InChIK | JOTVJLNCVIHRQP-UHFFFAOYSA-N |
| TotalMolweight | 477.3 |
| Molweight | 477.3 |
| MonoisotopicMass | 477.03381 |
| CLogP | 5.7049 |
| CLogS | -7.221 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.39 |
| Relative PSA | 0.15333 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.9031 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide | 2 - N-[(Z)-(3-iodophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off