1,2-dimethoxy-7,8-dihydro-1H-isoquinoline

C11H15NO2 — CID 173285405

IUPAC1,2-dimethoxy-7,8-dihydro-1H-isoquinoline
SMILESCOC1C2=C(C=CCC2)C=CN1OC
InChIInChI=1S/C11H15NO2/c1-13-11-10-6-4-3-5-9(10)7-8-12(11)14-2/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyAJEQUDDQLNXTBD-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds2

About 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline

1,2-dimethoxy-7,8-dihydro-1H-isoquinoline (PubChem CID 173285405) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1,2-dimethoxy-7,8-dihydro-1H-isoquinoline
PubChem CID173285405
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1,2-dimethoxy-7,8-dihydro-1H-isoquinoline
SMILESCOC1C2=C(C=CCC2)C=CN1OC
InChIInChI=1S/C11H15NO2/c1-13-11-10-6-4-3-5-9(10)7-8-12(11)14-2/h3,5,7-8,11H,4,6H2,1-2H3
InChIKeyAJEQUDDQLNXTBD-UHFFFAOYSA-N
XLogP2.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline?
The IUPAC name of 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline (CID 173285405) is 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline.
What is the SMILES notation for 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline?
The canonical SMILES for 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline is COC1C2=C(C=CCC2)C=CN1OC.
What is the InChIKey of 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline?
The InChIKey is AJEQUDDQLNXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-11-10-6-4-3-5-9(10)7-8-12(11)14-2/h3,5,7-8,11H,4,6H2,1-2H3.
What are the key properties of 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline?
1,2-dimethoxy-7,8-dihydro-1H-isoquinoline has a molecular weight of 193.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-7,8-dihydro-1H-isoquinoline is sourced from PubChem (CID 173285405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).