(E)-3-(4-chlorophenyl)-N-(4-oxoquinazolin-3-yl)prop-2-enamide
Formula:C17H12N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-(4-oxoquinazolin-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(4-oxoquinazolin-3-yl)prop-2-enamide |
| MolecularFormula | C17H12N3O2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)NN(C=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C17H12ClN3O2/c18-13-8-5-12(6-9-13)7-10-16(22)20-21-11-19-15-4-2-1-3-14(15)17(21)23/h1-11H,(H,20,22) |
| InChIK | IADFMUDUCUFLJS-UHFFFAOYSA-N |
| TotalMolweight | 325.754 |
| Molweight | 325.754 |
| MonoisotopicMass | 325.061804 |
| CLogP | 1.8232 |
| CLogS | -4.494 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.46 |
| Relative PSA | 0.21605 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 2.0885 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chlorophenyl)-N-(4-oxoquinazolin-3-yl)prop-2-enamide | 2 - (E)-3-(4-chlorophenyl)-N-(4-oxoquinazolin-3-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off