7-[(3,3-Dimethyloxiran-2-yl)methoxy]-4,6-dimethoxyfuro[2,3-b]quinoline
PubChem CID: 11461631
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| Topological Polar Surface Area | 66.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(3,3-dimethyloxiran-2-yl)methoxy]-4,6-dimethoxyfuro[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GUBVTINFYNHSOX-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -4.09 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.373 |
| Compound Name | 7-[(3,3-Dimethyloxiran-2-yl)methoxy]-4,6-dimethoxyfuro[2,3-b]quinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 329.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 329.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.937315733333334 |
| Inchi | InChI=1S/C18H19NO5/c1-18(2)15(24-18)9-23-14-8-12-11(7-13(14)20-3)16(21-4)10-5-6-22-17(10)19-12/h5-8,15H,9H2,1-4H3 |
| Smiles | CC1(C(O1)COC2=C(C=C3C(=C2)N=C4C(=C3OC)C=CO4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vepris Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients