N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
Formula:C30H21N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide |
| MolecularFormula | C30H21N3O3 |
| Smiles | O=C(c1cc(-c(cc2)ccc2-c2ccccc2)nc2ccccc12)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C30H21N3O3/c34-30(33-31-18-20-10-15-28-29(16-20)36-19-35-28)25-17-27(32-26-9-5-4-8-24(25)26)23-13-11-22(12-14-23)21-6-2-1-3-7-21/h1-18H,19H2,(H,33,34) |
| InChIK | ZFDOAKZKFRQJSV-UHFFFAOYSA-N |
| TotalMolweight | 471.515 |
| Molweight | 471.515 |
| MonoisotopicMass | 471.158292 |
| CLogP | 7.0384 |
| CLogS | -9.002 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.13 |
| Relative PSA | 0.18599 |
| 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 | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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