N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
Formula:C24H15N3O3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide |
| MolecularFormula | C24H15N3O3Cl2 |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)nc2ccccc12)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H15Cl2N3O3/c25-18-7-6-15(10-19(18)26)21-11-17(16-3-1-2-4-20(16)28-21)24(30)29-27-12-14-5-8-22-23(9-14)32-13-31-22/h1-12H,13H2,(H,29,30) |
| InChIK | BRNBUSOVHSPYPP-UHFFFAOYSA-N |
| TotalMolweight | 464.307 |
| Molweight | 464.307 |
| MonoisotopicMass | 463.049046 |
| CLogP | 6.5912 |
| CLogS | -8.388 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.21 |
| Relative PSA | 0.20223 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.2605 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
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