2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
Formula:C22H15N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one |
| MolecularFormula | C22H15N2O2Cl |
| Smiles | Oc1cccc(N(C(/C=C/c(cccc2)c2Cl)=Nc2c3cccc2)C3=O)c1 |
| InChI | InChI=1S/C22H15ClN2O2/c23-19-10-3-1-6-15(19)12-13-21-24-20-11-4-2-9-18(20)22(27)25(21)16-7-5-8-17(26)14-16/h1-14,26H |
| InChIK | MXOUMKKLMAUUQT-UHFFFAOYSA-N |
| TotalMolweight | 374.826 |
| Molweight | 374.826 |
| MonoisotopicMass | 374.082205 |
| CLogP | 4.5704 |
| CLogS | -5.498 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.57 |
| Relative PSA | 0.1479 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 1.8214 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one | 2 - 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off