3-(2,4-dichlorophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Formula:C21H12N3OCl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2,4-dichlorophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2,4-dichlorophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one |
| MolecularFormula | C21H12N3OCl2I |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2cnccc2)N1c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C21H12Cl2IN3O/c22-14-4-7-19(17(23)10-14)27-20(8-3-13-2-1-9-25-12-13)26-18-6-5-15(24)11-16(18)21(27)28/h1-12H |
| InChIK | RBIVZVHGGBHBMU-UHFFFAOYSA-N |
| TotalMolweight | 520.152 |
| Molweight | 520.152 |
| MonoisotopicMass | 518.940214 |
| CLogP | 4.9583 |
| CLogS | -6.751 |
| H Acceptors | 4 |
| TotalSurfaceArea | 312.68 |
| Relative PSA | 0.12495 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 2.3613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-(2,4-dichlorophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one | 2 - 3-(2,4-dichlorophenyl)-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
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