4,5,6,7,8-Pentamethoxyfuroquinoline
PubChem CID: 10381260
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| Compound Synonyms | 4,5,6,7,8-pentamethoxyfuroquinoline, 4,5,6,7,8-pentamethoxyfuro(2,3-b)quinoline, 4,5,6,7,8-pentamethoxyfuro[2,3-b]quinoline, CHEMBL513443, 45678-Pentamethoxyfuroquinoline, 524698-57-5 |
|---|---|
| Topological Polar Surface Area | 72.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 397.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,6,7,8-pentamethoxyfuro[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H17NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ATNODOVGBPPUGB-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -2.868 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.725 |
| Compound Name | 4,5,6,7,8-Pentamethoxyfuroquinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 319.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.106 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 319.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6594014695652173 |
| Inchi | InChI=1S/C16H17NO6/c1-18-11-8-6-7-23-16(8)17-10-9(11)12(19-2)14(21-4)15(22-5)13(10)20-3/h6-7H,1-5H3 |
| Smiles | COC1=C2C=COC2=NC3=C1C(=C(C(=C3OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vepris Punctata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all