3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Formula:C22H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one |
| MolecularFormula | C22H17N3O |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c2cnccc2)=Nc2c1cccc2 |
| InChI | InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2 |
| InChIK | GEKDQXSPTHHANP-UHFFFAOYSA-N |
| TotalMolweight | 339.397 |
| Molweight | 339.397 |
| MonoisotopicMass | 339.137162 |
| CLogP | 3.2321 |
| CLogS | -3.741 |
| H Acceptors | 4 |
| TotalSurfaceArea | 269.32 |
| Relative PSA | 0.14507 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 3.0784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one | 2 - 3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
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