2-(furan-2-yl)-3-[(Z)-(3-iodophenyl)methylideneamino]quinazolin-4-one
Formula:C19H12N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(furan-2-yl)-3-[(Z)-(3-iodophenyl)methylideneamino]quinazolin-4-one is a drug-like molecule.
| MolName | 2-(furan-2-yl)-3-[(Z)-(3-iodophenyl)methylideneamino]quinazolin-4-one |
| MolecularFormula | C19H12N3O2I |
| Smiles | O=C(c(cccc1)c1N=C1c2ccco2)N1/N=C\c1cccc(I)c1 |
| InChI | InChI=1S/C19H12IN3O2/c20-14-6-3-5-13(11-14)12-21-23-18(17-9-4-10-25-17)22-16-8-2-1-7-15(16)19(23)24/h1-12H |
| InChIK | WEQNWZWFLDXXKW-UHFFFAOYSA-N |
| TotalMolweight | 441.223 |
| Molweight | 441.223 |
| MonoisotopicMass | 440.997425 |
| CLogP | 3.7443 |
| CLogS | -5.498 |
| H Acceptors | 5 |
| TotalSurfaceArea | 271.03 |
| Relative PSA | 0.19821 |
| PolarSurfaceArea | 58.17 |
| Druglikeness | 4.1267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| StereoCon |
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