| MolName | N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide |
| MolecularFormula | C29H30N2O5 |
| Smiles | Cc(cc1)cc(C=C2CN(C(c(cc3OC)cc(OC)c3OC)=O)c3c(C)ccc(C)c3)c1NC2=O |
| InChI | InChI=1S/C29H30N2O5/c1-17-8-10-23-20(11-17)13-22(28(32)30-23)16-31(24-12-18(2)7-9-19(24)3)29(33)21-14-25(34-4)27(36-6)26(15-21)35-5/h7-15H,16H2,1-6H3,(H,30,32) |
| InChIK | FWVWWOXVWHHCHQ-UHFFFAOYSA-N |
| TotalMolweight | 486.566 |
| Molweight | 486.566 |
| MonoisotopicMass | 486.215473 |
| CLogP | 4.6946 |
| CLogS | -6.042 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 378.57 |
| Relative PSA | 0.18779 |
| PolarSurfaceArea | 77.1 |
| Druglikeness | 5.2216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide | 2 - N-(2,5-dimethylphenyl)-3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide