[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C24H18N2O3ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C24H18N2O3ClF3 |
| Smiles | O=C(COC(c1c(CC/C2=C/c(cccc3)c3Cl)c2nc2ccccc12)=O)NCC(F)(F)F |
| InChI | InChI=1S/C24H18ClF3N2O3/c25-18-7-3-1-5-14(18)11-15-9-10-17-21(16-6-2-4-8-19(16)30-22(15)17)23(32)33-12-20(31)29-13-24(26,27)28/h1-8,11H,9-10,12-13H2,(H,29,31) |
| InChIK | KENITGITPNDYGG-UHFFFAOYSA-N |
| TotalMolweight | 474.865 |
| Molweight | 474.865 |
| MonoisotopicMass | 474.095804 |
| CLogP | 4.8345 |
| CLogS | -6.214 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.47 |
| Relative PSA | 0.17493 |
| PolarSurfaceArea | 68.29 |
| Druglikeness | -4.8437 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (3Z)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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