Furo(2,3-b)quinolinium, 2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methyl-, (R)-
PubChem CID: 442931
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| Compound Synonyms | Ribalinium, 6883-22-3, Furo(2,3-b)quinolinium, 2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methyl-, (R)-, C10735, CHEBI:8839, DTXSID10218937, (2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol, NS00094629, Q27108159 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3CCCC3CC2C1 |
| Deep Smiles | COccC[C@@H]Oc5[n+]cc9ccO)cc6))))))C))))CO)C)C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NC3OCCC3CC2C1 |
| Classyfire Subclass | Dihydrofuranoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-6-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H20NO4+ |
| Scaffold Graph Node Bond Level | c1ccc2[nH+]c3c(cc2c1)CCO3 |
| Inchi Key | RUZDYQSFFIVRRP-CYBMUJFWSA-O |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | ribalinium |
| Esol Class | Soluble |
| Functional Groups | CO, cO, cOC, c[n+](c)C |
| Compound Name | Furo(2,3-b)quinolinium, 2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methyl-, (R)- |
| Exact Mass | 290.139 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 290.139 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 290.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1/t13-/m1/s1 |
| Smiles | CC(C)([C@H]1CC2=C(C3=C(C=CC(=C3)O)[N+](=C2O1)C)OC)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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