3-(2-chlorophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
Formula:C22H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C22H14N3O3Cl |
| Smiles | [O-][N+](c1ccc(/C=C/C(N2c(cccc3)c3Cl)=Nc(cccc3)c3C2=O)cc1)=O |
| InChI | InChI=1S/C22H14ClN3O3/c23-18-6-2-4-8-20(18)25-21(24-19-7-3-1-5-17(19)22(25)27)14-11-15-9-12-16(13-10-15)26(28)29/h1-14H |
| InChIK | NRRPLNFKAMQLTP-UHFFFAOYSA-N |
| TotalMolweight | 403.824 |
| Molweight | 403.824 |
| MonoisotopicMass | 403.072369 |
| CLogP | 3.9945 |
| CLogS | -6.254 |
| H Acceptors | 6 |
| TotalSurfaceArea | 295.89 |
| Relative PSA | 0.19778 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -3.2948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-(2-chlorophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one | 2 - 3-(2-chlorophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off