N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
Formula:C24H16N3O3F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide |
| MolecularFormula | C24H16N3O3F |
| Smiles | O=C(c1cc(-c(cc2)ccc2F)nc2ccccc12)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C24H16FN3O3/c25-17-8-6-16(7-9-17)21-12-19(18-3-1-2-4-20(18)27-21)24(29)28-26-13-15-5-10-22-23(11-15)31-14-30-22/h1-13H,14H2,(H,28,29) |
| InChIK | YJGDQCOCCMBEBV-UHFFFAOYSA-N |
| TotalMolweight | 413.407 |
| Molweight | 413.407 |
| MonoisotopicMass | 413.11757 |
| CLogP | 5.48 |
| CLogS | -7.23 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.72 |
| Relative PSA | 0.21838 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 2.8978 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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