N-[(Z)-benzylideneamino]-2-pyridin-2-ylquinazolin-4-amine
Formula:C20H15N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-pyridin-2-ylquinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-pyridin-2-ylquinazolin-4-amine |
| MolecularFormula | C20H15N5 |
| Smiles | C(c1ccccc1)=N\Nc1nc(-c2ncccc2)nc2ccccc12 |
| InChI | InChI=1S/C20H15N5/c1-2-8-15(9-3-1)14-22-25-19-16-10-4-5-11-17(16)23-20(24-19)18-12-6-7-13-21-18/h1-14H,(H,23,24,25) |
| InChIK | OPFPUMGPIKYLEE-UHFFFAOYSA-N |
| TotalMolweight | 325.374 |
| Molweight | 325.374 |
| MonoisotopicMass | 325.132745 |
| CLogP | 5.6791 |
| CLogS | -5.213 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.88 |
| Relative PSA | 0.21502 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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