Quinolinium, 1-ethyl-, iodide (1:1)
PubChem CID: 69446
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| Compound Synonyms | 1-Ethylquinolinium iodide, 634-35-5, Quinoline ethiodide, 1-ethylquinolin-1-ium iodide, N-Ethylquinolinium iodide, Quinolinium, 1-ethyl-, iodide, NSC 436, EINECS 211-206-7, 1-ethylquinolin-1-ium, iodide, Quinolinium, 1-ethyl-, iodide (1:1), AI3-15408, DTXSID40883516, MFCD00041996, SCHEMBL186988, DTXCID101023044, AKOS003368178, DB-054477, CS-0128422, E0173, NS00041981, EN300-18437, D81711 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | CC[n+]ccccc6cccc6.[I-] |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethylquinolin-1-ium, iodide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H12IN |
| Scaffold Graph Node Bond Level | c1ccc2[nH+]cccc2c1 |
| Inchi Key | PMYUGMDDIBOXQM-UHFFFAOYSA-M |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | quinoline ethiodide |
| Esol Class | Very soluble |
| Functional Groups | [I-], c[n+](c)C |
| Compound Name | Quinolinium, 1-ethyl-, iodide (1:1) |
| Exact Mass | 285.001 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.001 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 285.12 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H12N.HI/c1-2-12-9-5-7-10-6-3-4-8-11(10)12, /h3-9H,2H2,1H3, 1H/q+1, /p-1 |
| Smiles | CC[N+]1=CC=CC2=CC=CC=C21.[I-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.764215