6,7-dimethoxy-1-methylisoquinoline

C12H13NO2 — CID 20725

IUPAC6,7-dimethoxy-1-methylisoquinoline
SMILESCOc1cc2ccnc(C)c2cc1OC
InChIInChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
InChIKeyVBMZFACBWDZUSM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.56
Rot. Bonds2

About 6,7-dimethoxy-1-methylisoquinoline

6,7-dimethoxy-1-methylisoquinoline (PubChem CID 20725) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methylisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-methylisoquinoline
PubChem CID20725
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6,7-dimethoxy-1-methylisoquinoline
SMILESCOc1cc2ccnc(C)c2cc1OC
InChIInChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
InChIKeyVBMZFACBWDZUSM-UHFFFAOYSA-N
XLogP2.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methylisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-methylisoquinoline (CID 20725) is 6,7-dimethoxy-1-methylisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-methylisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-methylisoquinoline is COc1cc2ccnc(C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-methylisoquinoline?
The InChIKey is VBMZFACBWDZUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methylisoquinoline?
6,7-dimethoxy-1-methylisoquinoline has a molecular weight of 203.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methylisoquinoline is sourced from PubChem (CID 20725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).