2-cyclopropyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
Formula:C20H15N3OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-cyclopropyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-cyclopropyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C20H15N3OCl2 |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C20H15Cl2N3O/c21-14-8-7-13(17(22)9-14)11-23-25-20(26)16-10-19(12-5-6-12)24-18-4-2-1-3-15(16)18/h1-4,7-12H,5-6H2,(H,25,26) |
| InChIK | CBYOLOMLXIQURB-UHFFFAOYSA-N |
| TotalMolweight | 384.265 |
| Molweight | 384.265 |
| MonoisotopicMass | 383.059216 |
| CLogP | 5.8944 |
| CLogS | -6.88 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.71 |
| Relative PSA | 0.16917 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 5.1188 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-cyclopropyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide | 2 - 2-cyclopropyl-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
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