6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride

C12H16ClNO2 — CID 11109

IUPAC6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride
SMILESCOc1cc2c(cc1OC)CC[N+](C)=C2.[Cl-]
InChIInChI=1S/C12H16NO2.ClH/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeySNESGMZASZVGNN-UHFFFAOYSA-M
MW241.72 g/mol
LogP-1.67
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride

6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride (PubChem CID 11109) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride
PubChem CID11109
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride
SMILESCOc1cc2c(cc1OC)CC[N+](C)=C2.[Cl-]
InChIInChI=1S/C12H16NO2.ClH/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKeySNESGMZASZVGNN-UHFFFAOYSA-M
XLogP-1.67
TPSA21.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 5-1.67
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

6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
3,4-Dihydro-6,7-dimethoxyisoquinoline
CID 30058
Sch-12679
CID 5024
6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
CID 22652
Diphenethylamine, N-methyl-3,3',4,4'-tetramethoxy-, monohydrochloride
CID 6917841
N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
CID 5714
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
CID 872504
6,7-Dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 3766962
(6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile
CID 302555

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride?
The IUPAC name of 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride (CID 11109) is 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride is COc1cc2c(cc1OC)CC[N+](C)=C2.[Cl-].
What is the InChIKey of 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride?
The InChIKey is SNESGMZASZVGNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16NO2.ClH/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride?
6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride has a molecular weight of 241.72 g/mol, XLogP of -1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium chloride is sourced from PubChem (CID 11109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).