3-(4-hydroxyphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
Formula:C21H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-hydroxyphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(4-hydroxyphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C21H15N3O2 |
| Smiles | Oc(cc1)ccc1N(C(/C=C/c1ncccc1)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C21H15N3O2/c25-17-11-9-16(10-12-17)24-20(13-8-15-5-3-4-14-22-15)23-19-7-2-1-6-18(19)21(24)26/h1-14,25H |
| InChIK | NAWGKBBQPUVLSF-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 3.0175 |
| CLogS | -3.991 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 261.91 |
| Relative PSA | 0.19919 |
| PolarSurfaceArea | 65.79 |
| Druglikeness | 1.7563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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