(3E)-5-chloro-3-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1H-indol-2-one
Formula:C22H18N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-5-chloro-3-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-5-chloro-3-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C22H18N3O2Cl |
| Smiles | O=C1Nc(ccc(Cl)c2)c2/C1=C\c1cc2ccccc2nc1N1CCOCC1 |
| InChI | InChI=1S/C22H18ClN3O2/c23-16-5-6-20-17(13-16)18(22(27)25-20)12-15-11-14-3-1-2-4-19(14)24-21(15)26-7-9-28-10-8-26/h1-6,11-13H,7-10H2,(H,25,27) |
| InChIK | RSUPVQJWEYYUJE-UHFFFAOYSA-N |
| TotalMolweight | 391.857 |
| Molweight | 391.857 |
| MonoisotopicMass | 391.108754 |
| CLogP | 3.2081 |
| CLogS | -5.439 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.06 |
| Relative PSA | 0.17257 |
| PolarSurfaceArea | 54.46 |
| Druglikeness | 3.7954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-5-chloro-3-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1H-indol-2-one | 2 - (3E)-5-chloro-3-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off