2,3-dimethoxy-3H-isoquinoline

C11H13NO2 — CID 57292891

IUPAC2,3-dimethoxy-3H-isoquinoline
SMILESCOC1C=c2ccccc2=CN1OC
InChIInChI=1S/C11H13NO2/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2/h3-8,11H,1-2H3
InChIKeyAUORCWLEJAZCAT-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.05
Rot. Bonds2

About 2,3-dimethoxy-3H-isoquinoline

2,3-dimethoxy-3H-isoquinoline (PubChem CID 57292891) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3-dimethoxy-3H-isoquinoline.

Molecular Properties

Compound Name2,3-dimethoxy-3H-isoquinoline
PubChem CID57292891
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,3-dimethoxy-3H-isoquinoline
SMILESCOC1C=c2ccccc2=CN1OC
InChIInChI=1S/C11H13NO2/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2/h3-8,11H,1-2H3
InChIKeyAUORCWLEJAZCAT-UHFFFAOYSA-N
XLogP0.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3H-isoquinoline
CID 21052215
2-methoxy-1,5-dimethyl-2H-pyridine
CID 143548620
1,2-dimethoxy-7,8-dihydro-1H-isoquinoline
CID 173285405

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-3H-isoquinoline?
The IUPAC name of 2,3-dimethoxy-3H-isoquinoline (CID 57292891) is 2,3-dimethoxy-3H-isoquinoline.
What is the SMILES notation for 2,3-dimethoxy-3H-isoquinoline?
The canonical SMILES for 2,3-dimethoxy-3H-isoquinoline is COC1C=c2ccccc2=CN1OC.
What is the InChIKey of 2,3-dimethoxy-3H-isoquinoline?
The InChIKey is AUORCWLEJAZCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-11-7-9-5-3-4-6-10(9)8-12(11)14-2/h3-8,11H,1-2H3.
What are the key properties of 2,3-dimethoxy-3H-isoquinoline?
2,3-dimethoxy-3H-isoquinoline has a molecular weight of 191.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-3H-isoquinoline is sourced from PubChem (CID 57292891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).