N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide
Formula:C23H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H17N3O2 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\C=C/c1ccco1 |
| InChI | InChI=1S/C23H17N3O2/c27-23(26-24-14-6-10-18-11-7-15-28-18)20-16-22(17-8-2-1-3-9-17)25-21-13-5-4-12-19(20)21/h1-16H,(H,26,27) |
| InChIK | YLVZNIOWQDOQSP-UHFFFAOYSA-N |
| TotalMolweight | 367.407 |
| Molweight | 367.407 |
| MonoisotopicMass | 367.132077 |
| CLogP | 4.4748 |
| CLogS | -6.179 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.3 |
| Relative PSA | 0.20618 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.1634 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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