2-(4-oxoquinazolin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C19H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-oxoquinazolin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-oxoquinazolin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C19H16N4O2 |
| Smiles | O=C(CN(C=Nc1c2cccc1)C2=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H16N4O2/c24-18(22-21-12-6-9-15-7-2-1-3-8-15)13-23-14-20-17-11-5-4-10-16(17)19(23)25/h1-12,14H,13H2,(H,22,24) |
| InChIK | NRPPWZDKCDKKRK-UHFFFAOYSA-N |
| TotalMolweight | 332.362 |
| Molweight | 332.362 |
| MonoisotopicMass | 332.127326 |
| CLogP | 2.0191 |
| CLogS | -4.001 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.56 |
| Relative PSA | 0.24051 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 6.8324 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-(4-oxoquinazolin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(4-oxoquinazolin-3-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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