2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
Formula:C21H12N4Cl4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C21H12N4Cl4 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(-c(cc3)cc(Cl)c3Cl)nc3ccccc23)cc1 |
| InChI | InChI=1S/C21H12Cl4N4/c22-14-7-5-13(17(24)10-14)11-26-29-21-15-3-1-2-4-19(15)27-20(28-21)12-6-8-16(23)18(25)9-12/h1-11H,(H,27,28,29) |
| InChIK | MUDLRXHIQNJNMN-UHFFFAOYSA-N |
| TotalMolweight | 462.166 |
| Molweight | 462.166 |
| MonoisotopicMass | 459.981604 |
| CLogP | 9.013 |
| CLogS | -9.26 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 322.8 |
| Relative PSA | 0.13913 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine | 2 - 2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
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