2-(3,4-dichlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine
Formula:C21H13N4Cl2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dichlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-(3,4-dichlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C21H13N4Cl2F |
| Smiles | Fc1c(/C=N\Nc2nc(-c(cc3)cc(Cl)c3Cl)nc3ccccc23)cccc1 |
| InChI | InChI=1S/C21H13Cl2FN4/c22-16-10-9-13(11-17(16)23)20-26-19-8-4-2-6-15(19)21(27-20)28-25-12-14-5-1-3-7-18(14)24/h1-12H,(H,26,27,28) |
| InChIK | JJAKOFKAQIYHIL-UHFFFAOYSA-N |
| TotalMolweight | 411.266 |
| Molweight | 411.266 |
| MonoisotopicMass | 410.050128 |
| CLogP | 7.9018 |
| CLogS | -8.102 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.31 |
| Relative PSA | 0.15055 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(3,4-dichlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine | 2 - 2-(3,4-dichlorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine
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