3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
Formula:C21H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C21H15N3O |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2ncccc2)N1c1ccccc1 |
| InChI | InChI=1S/C21H15N3O/c25-21-18-11-4-5-12-19(18)23-20(14-13-16-8-6-7-15-22-16)24(21)17-9-2-1-3-10-17/h1-15H |
| InChIK | ZFEZSJMAONMYBM-UHFFFAOYSA-N |
| TotalMolweight | 325.37 |
| Molweight | 325.37 |
| MonoisotopicMass | 325.121512 |
| CLogP | 3.3632 |
| CLogS | -4.287 |
| H Acceptors | 4 |
| TotalSurfaceArea | 255.56 |
| Relative PSA | 0.15288 |
| PolarSurfaceArea | 45.56 |
| Druglikeness | 1.7463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one | 2 - 3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
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