3-(2-chlorophenyl)-6-iodo-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
Formula:C21H13N3OClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenyl)-6-iodo-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-6-iodo-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C21H13N3OClI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2ncccc2)N1c(cccc1)c1Cl |
| InChI | InChI=1S/C21H13ClIN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-13H |
| InChIK | QHNDQWOBTPRNQD-UHFFFAOYSA-N |
| TotalMolweight | 485.707 |
| Molweight | 485.707 |
| MonoisotopicMass | 484.979187 |
| CLogP | 4.4063 |
| CLogS | -6.039 |
| H Acceptors | 4 |
| TotalSurfaceArea | 297.26 |
| Relative PSA | 0.13143 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 2.3613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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