[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C28H22N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C28H22N2O6 |
| Smiles | O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)Nc(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C28H22N2O6/c31-25(29-18-8-10-23-24(15-18)35-13-12-34-23)16-36-28(32)26-20-5-1-2-6-22(20)30-27-17(7-9-21(26)27)14-19-4-3-11-33-19/h1-6,8,10-11,14-15H,7,9,12-13,16H2,(H,29,31) |
| InChIK | HLZLAALJAARWMF-UHFFFAOYSA-N |
| TotalMolweight | 482.491 |
| Molweight | 482.491 |
| MonoisotopicMass | 482.147788 |
| CLogP | 4.2141 |
| CLogS | -5.809 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 359.3 |
| Relative PSA | 0.25778 |
| PolarSurfaceArea | 99.89 |
| Druglikeness | -5.2958 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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