(4E)-2-(3-chlorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
Formula:C23H18N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(3-chlorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(3-chlorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C23H18N3O3Cl |
| Smiles | O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cc2ccccc2nc1N1CCOCC1 |
| InChI | InChI=1S/C23H18ClN3O3/c24-18-6-3-5-16(13-18)22-26-20(23(28)30-22)14-17-12-15-4-1-2-7-19(15)25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11H2 |
| InChIK | CPEBMXAFVRZURE-UHFFFAOYSA-N |
| TotalMolweight | 419.867 |
| Molweight | 419.867 |
| MonoisotopicMass | 419.103669 |
| CLogP | 3.5342 |
| CLogS | -5.989 |
| H Acceptors | 6 |
| TotalSurfaceArea | 305.57 |
| Relative PSA | 0.19331 |
| PolarSurfaceArea | 64.02 |
| Druglikeness | 2.3163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (4E)-2-(3-chlorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one | 2 - (4E)-2-(3-chlorophenyl)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
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