2-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-4-amine
Formula:C19H14N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-4-amine is a drug-like molecule.
| MolName | 2-pyridin-3-yl-N-[(Z)-pyridin-3-ylmethylideneamino]quinazolin-4-amine |
| MolecularFormula | C19H14N6 |
| Smiles | C(c1cnccc1)=N\Nc1nc(-c2cnccc2)nc2ccccc12 |
| InChI | InChI=1S/C19H14N6/c1-2-8-17-16(7-1)19(25-22-12-14-5-3-9-20-11-14)24-18(23-17)15-6-4-10-21-13-15/h1-13H,(H,23,24,25) |
| InChIK | CLHRHXYEWAXUHJ-UHFFFAOYSA-N |
| TotalMolweight | 326.362 |
| Molweight | 326.362 |
| MonoisotopicMass | 326.127994 |
| CLogP | 4.5872 |
| CLogS | -4.726 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 258.64 |
| Relative PSA | 0.25847 |
| PolarSurfaceArea | 75.95 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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