6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline

C12H15NO2 — CID 22652

IUPAC6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C)=NCC2
InChIInChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
InChIKeyVASUQTGZAPZKFK-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.07
Rot. Bonds2

About 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline

6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline (PubChem CID 22652) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
PubChem CID22652
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C)=NCC2
InChIInChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
InChIKeyVASUQTGZAPZKFK-UHFFFAOYSA-N
XLogP2.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.07
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-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline (CID 22652) is 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(C)=NCC2.
What is the InChIKey of 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline?
The InChIKey is VASUQTGZAPZKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline?
6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline has a molecular weight of 205.26 g/mol, XLogP of 2.07, 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-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 22652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).