| MolName | N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide |
| MolecularFormula | C22H20N2O4 |
| Smiles | Cc(cc1)c(C)c(N2)c1C=C(CN(Cc1ccco1)C(c1ccco1)=O)C2=O |
| InChI | InChI=1S/C22H20N2O4/c1-14-7-8-16-11-17(21(25)23-20(16)15(14)2)12-24(13-18-5-3-9-27-18)22(26)19-6-4-10-28-19/h3-11H,12-13H2,1-2H3,(H,23,25) |
| InChIK | IOAZDHYVFGLCNR-UHFFFAOYSA-N |
| TotalMolweight | 376.411 |
| Molweight | 376.411 |
| MonoisotopicMass | 376.142308 |
| CLogP | 2.6646 |
| CLogS | -4.486 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 292.67 |
| Relative PSA | 0.23682 |
| PolarSurfaceArea | 75.69 |
| Druglikeness | 5.2688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide | 2 - N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide