4,6,7-Trimethoxy-2,3-dihydrofuro[2,3-b]quinoline
PubChem CID: 71396179
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| Compound Synonyms | 4,6,7-Trimethoxy-2,3-dihydrofuro[2,3-b]quinoline, 61402-58-2, DTXSID50817761 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3CCCC3CC2C1 |
| Deep Smiles | COcccccc6OC))))nccc6OC)))CCO5 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NC3OCCC3CC2C1 |
| Classyfire Subclass | Dihydrofuranoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6,7-trimethoxy-2,3-dihydrofuro[2,3-b]quinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H15NO4 |
| Scaffold Graph Node Bond Level | c1ccc2nc3c(cc2c1)CCO3 |
| Inchi Key | SABVVKZCXIVAMA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2,3-dihydrokokusaginine |
| Esol Class | Soluble |
| Functional Groups | cOC, cnc |
| Compound Name | 4,6,7-Trimethoxy-2,3-dihydrofuro[2,3-b]quinoline |
| Exact Mass | 261.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 261.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 261.269 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H15NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h6-7H,4-5H2,1-3H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=C3CCOC3=N2)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:ISBN:9788185042053