4,5-Dimethoxyfuro[2,3-B]quinoline
PubChem CID: 71339665
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| Compound Synonyms | 4,5-DIMETHOXYFURO[2,3-B]QUINOLINE, 119708-35-9, DTXSID90767039 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3CCCC3CC2C1 |
| Np Classifier Class | Quinoline alkaloids |
| Deep Smiles | COcccOC))cccc6ncc%10cco5 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NC3OCCC3CC2C1 |
| Classyfire Subclass | Furanoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethoxyfuro[2,3-b]quinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H11NO3 |
| Scaffold Graph Node Bond Level | c1ccc2nc3occc3cc2c1 |
| Inchi Key | MLCQEJCKKBNPAY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 5-methoxydictamnine |
| Esol Class | Soluble |
| Functional Groups | cOC, cnc, coc |
| Compound Name | 4,5-Dimethoxyfuro[2,3-B]quinoline |
| Exact Mass | 229.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 229.23 |
| 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/C13H11NO3/c1-15-10-5-3-4-9-11(10)12(16-2)8-6-7-17-13(8)14-9/h3-7H,1-2H3 |
| Smiles | COC1=CC=CC2=C1C(=C3C=COC3=N2)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids, Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Nitidum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18816524