3-benzyl-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C23H17N2OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-benzyl-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C23H17N2OI |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c2ccccc2)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C23H17IN2O/c24-19-12-13-21-20(15-19)23(27)26(16-18-9-5-2-6-10-18)22(25-21)14-11-17-7-3-1-4-8-17/h1-15H,16H2 |
| InChIK | UDGHNOIVSOAYAX-UHFFFAOYSA-N |
| TotalMolweight | 464.301 |
| Molweight | 464.301 |
| MonoisotopicMass | 464.038561 |
| CLogP | 4.6701 |
| CLogS | -5.552 |
| H Acceptors | 3 |
| TotalSurfaceArea | 296.84 |
| Relative PSA | 0.094664 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 3.571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-benzyl-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one | 2 - 3-benzyl-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one
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