[2-(cyclopropylamino)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C25H20N2O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(cyclopropylamino)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | [2-(cyclopropylamino)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C25H20N2O3ClF |
| Smiles | O=C(COC(c1c(CC/C2=C\c(c(F)ccc3)c3Cl)c2nc2ccccc12)=O)NC1CC1 |
| InChI | InChI=1S/C25H20ClFN2O3/c26-19-5-3-6-20(27)18(19)12-14-8-11-17-23(16-4-1-2-7-21(16)29-24(14)17)25(31)32-13-22(30)28-15-9-10-15/h1-7,12,15H,8-11,13H2,(H,28,30) |
| InChIK | OECCBCLZFGBORB-UHFFFAOYSA-N |
| TotalMolweight | 450.896 |
| Molweight | 450.896 |
| MonoisotopicMass | 450.114648 |
| CLogP | 4.5744 |
| CLogS | -6.252 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.12 |
| Relative PSA | 0.18052 |
| PolarSurfaceArea | 68.29 |
| Druglikeness | 1.5581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-(cyclopropylamino)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(cyclopropylamino)-2-oxoethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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