6-iodo-3-(2-phenylethyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
Formula:C23H18N3OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-iodo-3-(2-phenylethyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 6-iodo-3-(2-phenylethyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C23H18N3OI |
| Smiles | O=C1N(CCc2ccccc2)C(/C=C/c2ncccc2)=Nc(cc2)c1cc2I |
| InChI | InChI=1S/C23H18IN3O/c24-18-9-11-21-20(16-18)23(28)27(15-13-17-6-2-1-3-7-17)22(26-21)12-10-19-8-4-5-14-25-19/h1-12,14,16H,13,15H2 |
| InChIK | LKCBPSNSNUSYTN-UHFFFAOYSA-N |
| TotalMolweight | 479.316 |
| Molweight | 479.316 |
| MonoisotopicMass | 479.04946 |
| CLogP | 4.1533 |
| CLogS | -4.893 |
| H Acceptors | 4 |
| TotalSurfaceArea | 309.36 |
| Relative PSA | 0.12629 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 3.761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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