Tecleabine
PubChem CID: 641762
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| Compound Synonyms | Tecleabine, 651737-85-8, furo[2,3-b]quinoline, 4,6-dimethoxy-8-[(3-methyl-2-butenyl)oxy]-, DTXSID50348944, 4,6-dimethoxy-8-(3-methylbut-2-enoxy)furo[2,3-b]quinoline, 4,6-Dimethoxy-8-((3-methylbut-2-en-1-yl)oxy)furo[2,3-b]quinoline, 4,6-dimethoxy-8-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline, 8-(1,3-Dimethyl-but-2-enyloxy)-4,6-dimethoxy-furo[2,3-b]quinoline, 4,6-dimethoxy-8-(3-methylbut-2-enoxy)furo(2,3-b)quinoline, 4,6-dimethoxy-8-((3-methylbut-2-en-1-yl)oxy)furo(2,3-b)quinoline, 8-(1,3-Dimethyl-but-2-enyloxy)-4,6-dimethoxy-furo(2,3-b)quinoline, Furo(2,3-b)quinoline, 4,6-dimethoxy-8-((3-methyl-2-butenyl)oxy)-, DTXCID40300016 |
|---|---|
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6-dimethoxy-8-(3-methylbut-2-enoxy)furo[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C18H19NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YAAZBRKEIHCVOT-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -5.417 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.935 |
| Compound Name | Tecleabine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 313.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 313.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6052494695652175 |
| Inchi | InChI=1S/C18H19NO4/c1-11(2)5-7-22-15-10-12(20-3)9-14-16(15)19-18-13(6-8-23-18)17(14)21-4/h5-6,8-10H,7H2,1-4H3 |
| Smiles | CC(=CCOC1=CC(=CC2=C1N=C3C(=C2OC)C=CO3)OC)C |
| 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