N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
Formula:C21H13N4Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine |
| MolecularFormula | C21H13N4Cl2F |
| Smiles | Fc(cccc1)c1-c1nc2ccccc2c(N/N=C\c(ccc(Cl)c2)c2Cl)n1 |
| InChI | InChI=1S/C21H13Cl2FN4/c22-14-10-9-13(17(23)11-14)12-25-28-21-16-6-2-4-8-19(16)26-20(27-21)15-5-1-3-7-18(15)24/h1-12H,(H,26,27,28) |
| InChIK | LIPJHOCMIFMYDN-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 | none |
| 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 |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off