2-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinoline-4-carboxamide
Formula:C22H19N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinoline-4-carboxamide is a drug-like molecule.
| MolName | 2-cyclopropyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinoline-4-carboxamide |
| MolecularFormula | C22H19N3O |
| Smiles | O=C(c1cc(C2CC2)nc2ccccc12)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C22H19N3O/c26-22(25-23-14-6-9-16-7-2-1-3-8-16)19-15-21(17-12-13-17)24-20-11-5-4-10-18(19)20/h1-11,14-15,17H,12-13H2,(H,25,26) |
| InChIK | HQANQFAIBAWMHH-UHFFFAOYSA-N |
| TotalMolweight | 341.413 |
| Molweight | 341.413 |
| MonoisotopicMass | 341.152812 |
| CLogP | 4.7007 |
| CLogS | -5.7 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.37 |
| Relative PSA | 0.17186 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 5.1173 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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