3-benzyl-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Formula:C22H16N3OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-benzyl-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one |
| MolecularFormula | C22H16N3OI |
| Smiles | O=C1N(Cc2ccccc2)C(/C=C/c2cnccc2)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C22H16IN3O/c23-18-9-10-20-19(13-18)22(27)26(15-17-5-2-1-3-6-17)21(25-20)11-8-16-7-4-12-24-14-16/h1-14H,15H2 |
| InChIK | JXCZQPIRZPSLHQ-UHFFFAOYSA-N |
| TotalMolweight | 465.289 |
| Molweight | 465.289 |
| MonoisotopicMass | 465.03381 |
| CLogP | 3.6692 |
| CLogS | -4.757 |
| H Acceptors | 4 |
| TotalSurfaceArea | 295.6 |
| Relative PSA | 0.13217 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 3.571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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 |
Click to Load Molecule:
1 - 3-benzyl-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one | 2 - 3-benzyl-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off