N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine
Formula:C20H14N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-pyridin-3-ylquinazolin-4-amine |
| MolecularFormula | C20H14N6O2 |
| Smiles | [O-][N+](c1c(/C=N\Nc2nc(-c3cnccc3)nc3ccccc23)cccc1)=O |
| InChI | InChI=1S/C20H14N6O2/c27-26(28)18-10-4-1-6-14(18)13-22-25-20-16-8-2-3-9-17(16)23-19(24-20)15-7-5-11-21-12-15/h1-13H,(H,23,24,25) |
| InChIK | BXIGXPZMKBQURC-UHFFFAOYSA-N |
| TotalMolweight | 370.371 |
| Molweight | 370.371 |
| MonoisotopicMass | 370.117824 |
| CLogP | 4.6665 |
| CLogS | -5.981 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 283.55 |
| Relative PSA | 0.30436 |
| PolarSurfaceArea | 108.88 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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