1-methoxy-3-methylisoquinolin-5-ol

C11H11NO2 — CID 84661934

IUPAC1-methoxy-3-methylisoquinolin-5-ol
SMILESCOc1nc(C)cc2c(O)cccc12
InChIInChI=1S/C11H11NO2/c1-7-6-9-8(11(12-7)14-2)4-3-5-10(9)13/h3-6,13H,1-2H3
InChIKeyIZHPSJZJOWTGCD-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.26
Rot. Bonds1

About 1-methoxy-3-methylisoquinolin-5-ol

1-methoxy-3-methylisoquinolin-5-ol (PubChem CID 84661934) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-methoxy-3-methylisoquinolin-5-ol.

Molecular Properties

Compound Name1-methoxy-3-methylisoquinolin-5-ol
PubChem CID84661934
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-methoxy-3-methylisoquinolin-5-ol
SMILESCOc1nc(C)cc2c(O)cccc12
InChIInChI=1S/C11H11NO2/c1-7-6-9-8(11(12-7)14-2)4-3-5-10(9)13/h3-6,13H,1-2H3
InChIKeyIZHPSJZJOWTGCD-UHFFFAOYSA-N
XLogP2.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylisoquinolin-5-ol?
The IUPAC name of 1-methoxy-3-methylisoquinolin-5-ol (CID 84661934) is 1-methoxy-3-methylisoquinolin-5-ol.
What is the SMILES notation for 1-methoxy-3-methylisoquinolin-5-ol?
The canonical SMILES for 1-methoxy-3-methylisoquinolin-5-ol is COc1nc(C)cc2c(O)cccc12.
What is the InChIKey of 1-methoxy-3-methylisoquinolin-5-ol?
The InChIKey is IZHPSJZJOWTGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-6-9-8(11(12-7)14-2)4-3-5-10(9)13/h3-6,13H,1-2H3.
What are the key properties of 1-methoxy-3-methylisoquinolin-5-ol?
1-methoxy-3-methylisoquinolin-5-ol has a molecular weight of 189.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylisoquinolin-5-ol is sourced from PubChem (CID 84661934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).