6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

C11H14INO — CID 15234950

IUPAC6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
SMILESCOc1ccc2c(c1)CC[N+](C)=C2.[I-]
InChIInChI=1S/C11H14NO.HI/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12;/h3-4,7-8H,5-6H2,1-2H3;1H/q+1;/p-1
InChIKeyAKIJDUQGUJLYSQ-UHFFFAOYSA-M
MW303.14 g/mol
LogP-1.68
Rot. Bonds1

About 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide

6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide (PubChem CID 15234950) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide.

Molecular Properties

Compound Name6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
PubChem CID15234950
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
SMILESCOc1ccc2c(c1)CC[N+](C)=C2.[I-]
InChIInChI=1S/C11H14NO.HI/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12;/h3-4,7-8H,5-6H2,1-2H3;1H/q+1;/p-1
InChIKeyAKIJDUQGUJLYSQ-UHFFFAOYSA-M
XLogP-1.68
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide?
The IUPAC name of 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide (CID 15234950) is 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide.
What is the SMILES notation for 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide?
The canonical SMILES for 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide is COc1ccc2c(c1)CC[N+](C)=C2.[I-].
What is the InChIKey of 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide?
The InChIKey is AKIJDUQGUJLYSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14NO.HI/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12;/h3-4,7-8H,5-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide?
6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide has a molecular weight of 303.14 g/mol, XLogP of -1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide is sourced from PubChem (CID 15234950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).