N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine
Formula:C20H14N5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine |
| MolecularFormula | C20H14N5F |
| Smiles | Fc1ccc(/C=N\Nc2nc(-c3cnccc3)nc3ccccc23)cc1 |
| InChI | InChI=1S/C20H14FN5/c21-16-9-7-14(8-10-16)12-23-26-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-13H,(H,24,25,26) |
| InChIK | CFRXOYUERWVQOJ-UHFFFAOYSA-N |
| TotalMolweight | 343.364 |
| Molweight | 343.364 |
| MonoisotopicMass | 343.123323 |
| CLogP | 5.6889 |
| CLogS | -5.835 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 266.23 |
| Relative PSA | 0.20989 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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