N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C24H17N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C24H17N3O3 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H17N3O3/c28-24(27-25-14-16-10-11-22-23(12-16)30-15-29-22)19-13-21(17-6-2-1-3-7-17)26-20-9-5-4-8-18(19)20/h1-14H,15H2,(H,27,28) |
| InChIK | ANJGFOJLQCXLSH-UHFFFAOYSA-N |
| TotalMolweight | 395.417 |
| Molweight | 395.417 |
| MonoisotopicMass | 395.126992 |
| CLogP | 5.3792 |
| CLogS | -6.916 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 300.37 |
| Relative PSA | 0.22299 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.2378 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylquinoline-4-carboxamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-phenylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off