2-cyclopropyl-N-[(Z)-naphthalen-1-ylmethylideneamino]quinoline-4-carboxamide
Formula:C24H19N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-cyclopropyl-N-[(Z)-naphthalen-1-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-cyclopropyl-N-[(Z)-naphthalen-1-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C24H19N3O |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H19N3O/c28-24(27-25-15-18-8-5-7-16-6-1-2-9-19(16)18)21-14-23(17-12-13-17)26-22-11-4-3-10-20(21)22/h1-11,14-15,17H,12-13H2,(H,27,28) |
| InChIK | PHRXUZNKFGVXLZ-UHFFFAOYSA-N |
| TotalMolweight | 365.435 |
| Molweight | 365.435 |
| MonoisotopicMass | 365.152812 |
| CLogP | 5.8768 |
| CLogS | -7.014 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.47 |
| Relative PSA | 0.16691 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 5.1046 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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