2-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
Formula:C21H13N4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C21H13N4Cl3 |
| Smiles | Clc(cc1)ccc1-c1nc2ccccc2c(N/N=C\c(ccc(Cl)c2)c2Cl)n1 |
| InChI | InChI=1S/C21H13Cl3N4/c22-15-8-5-13(6-9-15)20-26-19-4-2-1-3-17(19)21(27-20)28-25-12-14-7-10-16(23)11-18(14)24/h1-12H,(H,26,27,28) |
| InChIK | XGAOTWILJFETRY-UHFFFAOYSA-N |
| TotalMolweight | 427.721 |
| Molweight | 427.721 |
| MonoisotopicMass | 426.020577 |
| CLogP | 8.407 |
| CLogS | -8.524 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.38 |
| Relative PSA | 0.14611 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine | 2 - 2-(4-chlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
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