3-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Formula:C20H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one |
| MolecularFormula | C20H14N4O |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cnccc2)N1c1ncccc1 |
| InChI | InChI=1S/C20H14N4O/c25-20-16-7-1-2-8-17(16)23-19(11-10-15-6-5-12-21-14-15)24(20)18-9-3-4-13-22-18/h1-14H |
| InChIK | AENIFKSSGKJARM-UHFFFAOYSA-N |
| TotalMolweight | 326.358 |
| Molweight | 326.358 |
| MonoisotopicMass | 326.116761 |
| CLogP | 2.6597 |
| CLogS | -3.993 |
| H Acceptors | 5 |
| TotalSurfaceArea | 254.32 |
| Relative PSA | 0.19676 |
| PolarSurfaceArea | 58.45 |
| Druglikeness | 1.7463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one | 2 - 3-pyridin-2-yl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off