5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium

C13H18NO2+ — CID 91665039

IUPAC5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium
SMILESCOc1ccc(OC)c2c1CC[N+](C)=C2C
InChIInChI=1S/C13H18NO2/c1-9-13-10(7-8-14(9)2)11(15-3)5-6-12(13)16-4/h5-6H,7-8H2,1-4H3/q+1
InChIKeyLXSCPVAAEDDMIG-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.71
Rot. Bonds2

About 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium

5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium (PubChem CID 91665039) has the molecular formula C13H18NO2+ and a molecular weight of 220.29 g/mol. Its IUPAC name is 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium.

Molecular Properties

Compound Name5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium
PubChem CID91665039
Molecular FormulaC13H18NO2+
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium
SMILESCOc1ccc(OC)c2c1CC[N+](C)=C2C
InChIInChI=1S/C13H18NO2/c1-9-13-10(7-8-14(9)2)11(15-3)5-6-12(13)16-4/h5-6H,7-8H2,1-4H3/q+1
InChIKeyLXSCPVAAEDDMIG-UHFFFAOYSA-N
XLogP1.71
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

5,8-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
CID 117055381
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
7-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 53486405
6,9-dimethoxy-4,5-dihydro-2-benzoxepine-1,3-dione
CID 82159209
6,9-dimethoxy-1,2-dihydro-3-benzoxepin-5-one
CID 62729703
7-iodo-4-methoxy-2,3-dihydroinden-1-one
CID 12969786
6,15-dimethoxy-10,11-dimethyltetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
CID 10924795
5,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
CID 117055383
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
bis(7-methoxy-1-methyl-3H-inden-4-yl)-dimethylsilane
CID 139707691
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
(2R)-2-ethyl-2-hydroxy-5,8-dimethoxy-3,4-dihydronaphthalen-1-one
CID 14448209

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium?
The IUPAC name of 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium (CID 91665039) is 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium.
What is the SMILES notation for 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium?
The canonical SMILES for 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium is COc1ccc(OC)c2c1CC[N+](C)=C2C.
What is the InChIKey of 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium?
The InChIKey is LXSCPVAAEDDMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO2/c1-9-13-10(7-8-14(9)2)11(15-3)5-6-12(13)16-4/h5-6H,7-8H2,1-4H3/q+1.
What are the key properties of 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium?
5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium has a molecular weight of 220.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1,2-dimethyl-3,4-dihydroisoquinolin-2-ium is sourced from PubChem (CID 91665039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).