1-(4,7-Dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methoxy-3-methylbutan-2-ol
PubChem CID: 11360412
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 83.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 461.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4,7-dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methoxy-3-methylbutan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C19H23NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WVKRJHMXOXJMFW-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -3.333 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.061 |
| Compound Name | 1-(4,7-Dimethoxyfuro[2,3-b]quinolin-6-yl)oxy-3-methoxy-3-methylbutan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 361.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.153 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 361.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6833428000000006 |
| Inchi | InChI=1S/C19H23NO6/c1-19(2,24-5)16(21)10-26-15-8-12-13(9-14(15)22-3)20-18-11(6-7-25-18)17(12)23-4/h6-9,16,21H,10H2,1-5H3 |
| Smiles | CC(C)(C(COC1=C(C=C2C(=C1)C(=C3C=COC3=N2)OC)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vepris Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients