N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-4-phenylquinazolin-2-amine
Formula:C22H15N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-chloro-4-phenylquinazolin-2-amine |
| MolecularFormula | C22H15N4O2Cl |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C\c(cc3)cc4c3OCO4)nc2cc1 |
| InChI | InChI=1S/C22H15ClN4O2/c23-16-7-8-18-17(11-16)21(15-4-2-1-3-5-15)26-22(25-18)27-24-12-14-6-9-19-20(10-14)29-13-28-19/h1-12H,13H2,(H,25,26,27) |
| InChIK | DQJAJWGJRWBVNS-UHFFFAOYSA-N |
| TotalMolweight | 402.84 |
| Molweight | 402.84 |
| MonoisotopicMass | 402.088353 |
| CLogP | 7.4317 |
| CLogS | -7.142 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 296.8 |
| Relative PSA | 0.2187 |
| PolarSurfaceArea | 68.63 |
| Druglikeness | 1.9387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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