(2Z)-2-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-3H-inden-1-one
Formula:C23H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-3H-inden-1-one |
| MolecularFormula | C23H20N2O2 |
| Smiles | O=C(/C(/C1)=C\c2cc3ccccc3nc2N2CCOCC2)c2c1cccc2 |
| InChI | InChI=1S/C23H20N2O2/c26-22-18(13-16-5-1-3-7-20(16)22)15-19-14-17-6-2-4-8-21(17)24-23(19)25-9-11-27-12-10-25/h1-8,14-15H,9-13H2 |
| InChIK | JYSPTYXZAWQHOT-UHFFFAOYSA-N |
| TotalMolweight | 356.424 |
| Molweight | 356.424 |
| MonoisotopicMass | 356.152478 |
| CLogP | 4.0072 |
| CLogS | -5.347 |
| H Acceptors | 4 |
| TotalSurfaceArea | 270.94 |
| Relative PSA | 0.13863 |
| PolarSurfaceArea | 42.43 |
| Druglikeness | 2.6265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| 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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