2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
Formula:C18H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one |
| MolecularFormula | C18H15N2O2Br |
| Smiles | OCCN(C(/C=C/c1cccc(Br)c1)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C18H15BrN2O2/c19-14-5-3-4-13(12-14)8-9-17-20-16-7-2-1-6-15(16)18(23)21(17)10-11-22/h1-9,12,22H,10-11H2 |
| InChIK | WSWWHVDVNVCBDP-UHFFFAOYSA-N |
| TotalMolweight | 371.233 |
| Molweight | 371.233 |
| MonoisotopicMass | 370.031689 |
| CLogP | 3.0197 |
| CLogS | -3.84 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.54 |
| Relative PSA | 0.1651 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 1.4456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one | 2 - 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off