3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1H-quinolin-2-one
PubChem CID: 6325027
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 67.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 457.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1H-quinolin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C16H19NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JWPTXRZSJUZUFW-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -3.112 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.872 |
| Compound Name | 3-(2-hydroxy-3-methylbut-3-enyl)-4,8-dimethoxy-1H-quinolin-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 289.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 289.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 289.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5399331523809527 |
| Inchi | InChI=1S/C16H19NO4/c1-9(2)12(18)8-11-15(21-4)10-6-5-7-13(20-3)14(10)17-16(11)19/h5-7,12,18H,1,8H2,2-4H3,(H,17,19) |
| Smiles | CC(=C)C(CC1=C(C2=C(C(=CC=C2)OC)NC1=O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients