2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium

C13H18NO2+ — CID 58266749

IUPAC2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium
SMILESCC[N+]1=Cc2c(cc(OC)cc2OC)CC1
InChIInChI=1S/C13H18NO2/c1-4-14-6-5-10-7-11(15-2)8-13(16-3)12(10)9-14/h7-9H,4-6H2,1-3H3/q+1
InChIKeyDCGVIYFQDIODEO-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.71
Rot. Bonds3

About 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium

2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium (PubChem CID 58266749) has the molecular formula C13H18NO2+ and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium.

Molecular Properties

Compound Name2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium
PubChem CID58266749
Molecular FormulaC13H18NO2+
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium
SMILESCC[N+]1=Cc2c(cc(OC)cc2OC)CC1
InChIInChI=1S/C13H18NO2/c1-4-14-6-5-10-7-11(15-2)8-13(16-3)12(10)9-14/h7-9H,4-6H2,1-3H3/q+1
InChIKeyDCGVIYFQDIODEO-UHFFFAOYSA-N
XLogP1.71
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
CID 143278523
5,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
CID 117055383
6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 11985892
5,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383413
(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran
CID 131847505
5,6-dimethoxy-1,1-dipropyl-2,3-dihydroindol-1-ium
CID 86195441
(5,7-dimethoxy-2,3-dihydro-1-benzofuran-2-yl)methyl-trimethylsilane
CID 135013485
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]
CID 171987548
2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid
CID 84639890

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium?
The IUPAC name of 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium (CID 58266749) is 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium.
What is the SMILES notation for 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium?
The canonical SMILES for 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium is CC[N+]1=Cc2c(cc(OC)cc2OC)CC1.
What is the InChIKey of 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium?
The InChIKey is DCGVIYFQDIODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO2/c1-4-14-6-5-10-7-11(15-2)8-13(16-3)12(10)9-14/h7-9H,4-6H2,1-3H3/q+1.
What are the key properties of 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium?
2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium has a molecular weight of 220.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-dimethoxy-3,4-dihydroisoquinolin-2-ium is sourced from PubChem (CID 58266749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).