(4E)-2-(4-chlorophenyl)-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
Formula:C24H20N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(4-chlorophenyl)-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(4-chlorophenyl)-4-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C24H20N3O2Cl |
| Smiles | O=C1OC(c(cc2)ccc2Cl)=N/C1=C/c1cc2ccccc2nc1N1CCCCC1 |
| InChI | InChI=1S/C24H20ClN3O2/c25-19-10-8-16(9-11-19)23-27-21(24(29)30-23)15-18-14-17-6-2-3-7-20(17)26-22(18)28-12-4-1-5-13-28/h2-3,6-11,14-15H,1,4-5,12-13H2 |
| InChIK | CCPSZPYGIYNLSD-UHFFFAOYSA-N |
| TotalMolweight | 417.895 |
| Molweight | 417.895 |
| MonoisotopicMass | 417.124404 |
| CLogP | 4.6982 |
| CLogS | -6.878 |
| H Acceptors | 5 |
| TotalSurfaceArea | 309.33 |
| Relative PSA | 0.15863 |
| PolarSurfaceArea | 54.79 |
| Druglikeness | 1.4061 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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