[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C27H24N2O4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C27H24N2O4ClF |
| Smiles | O=C(COC(c1c(CC/C2=C\c(c(F)ccc3)c3Cl)c2nc2ccccc12)=O)NCC1OCCC1 |
| InChI | InChI=1S/C27H24ClFN2O4/c28-21-7-3-8-22(29)20(21)13-16-10-11-19-25(18-6-1-2-9-23(18)31-26(16)19)27(33)35-15-24(32)30-14-17-5-4-12-34-17/h1-3,6-9,13,17H,4-5,10-12,14-15H2,(H,30,32)/t17-/m1/s1 |
| InChIK | DPBFJDIGZATFTD-QGZVFWFLSA-N |
| TotalMolweight | 494.949 |
| Molweight | 494.949 |
| MonoisotopicMass | 494.140863 |
| CLogP | 4.3445 |
| CLogS | -6.173 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 361.64 |
| Relative PSA | 0.18944 |
| PolarSurfaceArea | 77.52 |
| Druglikeness | 0.69522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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