7-methoxy-1-methyl-2H-isoquinolin-3-one

C11H11NO2 — CID 14067804

IUPAC7-methoxy-1-methyl-2H-isoquinolin-3-one
SMILESCOc1ccc2cc(=O)[nH]c(C)c2c1
InChIInChI=1S/C11H11NO2/c1-7-10-6-9(14-2)4-3-8(10)5-11(13)12-7/h3-6H,1-2H3,(H,12,13)
InChIKeyBFOCWOYOBXQQLO-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.85
Rot. Bonds1

About 7-methoxy-1-methyl-2H-isoquinolin-3-one

7-methoxy-1-methyl-2H-isoquinolin-3-one (PubChem CID 14067804) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 7-methoxy-1-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name7-methoxy-1-methyl-2H-isoquinolin-3-one
PubChem CID14067804
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name7-methoxy-1-methyl-2H-isoquinolin-3-one
SMILESCOc1ccc2cc(=O)[nH]c(C)c2c1
InChIInChI=1S/C11H11NO2/c1-7-10-6-9(14-2)4-3-8(10)5-11(13)12-7/h3-6H,1-2H3,(H,12,13)
InChIKeyBFOCWOYOBXQQLO-UHFFFAOYSA-N
XLogP1.85
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-2H-isoquinolin-3-one?
The IUPAC name of 7-methoxy-1-methyl-2H-isoquinolin-3-one (CID 14067804) is 7-methoxy-1-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 7-methoxy-1-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 7-methoxy-1-methyl-2H-isoquinolin-3-one is COc1ccc2cc(=O)[nH]c(C)c2c1.
What is the InChIKey of 7-methoxy-1-methyl-2H-isoquinolin-3-one?
The InChIKey is BFOCWOYOBXQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7-10-6-9(14-2)4-3-8(10)5-11(13)12-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 7-methoxy-1-methyl-2H-isoquinolin-3-one?
7-methoxy-1-methyl-2H-isoquinolin-3-one has a molecular weight of 189.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 14067804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).