N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinolin-2-amine
Formula:C23H18N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]quinolin-2-amine |
| MolecularFormula | C23H18N3OF |
| Smiles | Fc1c(COc2ccc(/C=N\Nc3nc4ccccc4cc3)cc2)cccc1 |
| InChI | InChI=1S/C23H18FN3O/c24-21-7-3-1-6-19(21)16-28-20-12-9-17(10-13-20)15-25-27-23-14-11-18-5-2-4-8-22(18)26-23/h1-15H,16H2,(H,26,27) |
| InChIK | IQDJPYMEVNKOAU-UHFFFAOYSA-N |
| TotalMolweight | 371.414 |
| Molweight | 371.414 |
| MonoisotopicMass | 371.14339 |
| CLogP | 6.9572 |
| CLogS | -6.035 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.47 |
| Relative PSA | 0.15024 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | 0.28884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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