[2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C27H18N3O3Cl3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
[2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C27H18N3O3Cl3 |
| Smiles | O=C(COC(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)=O)Nc(ncc(Cl)c1)c1Cl |
| InChI | InChI=1S/C27H18Cl3N3O3/c28-17-8-5-15(6-9-17)11-16-7-10-20-24(19-3-1-2-4-22(19)32-25(16)20)27(35)36-14-23(34)33-26-21(30)12-18(29)13-31-26/h1-6,8-9,11-13H,7,10,14H2,(H,31,33,34) |
| InChIK | KCCOSYZRFIWYAS-UHFFFAOYSA-N |
| TotalMolweight | 538.817 |
| Molweight | 538.817 |
| MonoisotopicMass | 537.041373 |
| CLogP | 6.2151 |
| CLogS | -7.883 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 380.61 |
| Relative PSA | 0.18255 |
| PolarSurfaceArea | 81.18 |
| Druglikeness | 1.9 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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