2-methyl-6-(methylamino)isoquinolin-1-one

C11H12N2O — CID 20799475

IUPAC2-methyl-6-(methylamino)isoquinolin-1-one
SMILESCNc1ccc2c(=O)n(C)ccc2c1
InChIInChI=1S/C11H12N2O/c1-12-9-3-4-10-8(7-9)5-6-13(2)11(10)14/h3-7,12H,1-2H3
InChIKeyYJKGDMUFRXIJEZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.58
Rot. Bonds1

About 2-methyl-6-(methylamino)isoquinolin-1-one

2-methyl-6-(methylamino)isoquinolin-1-one (PubChem CID 20799475) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)isoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-6-(methylamino)isoquinolin-1-one
PubChem CID20799475
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-methyl-6-(methylamino)isoquinolin-1-one
SMILESCNc1ccc2c(=O)n(C)ccc2c1
InChIInChI=1S/C11H12N2O/c1-12-9-3-4-10-8(7-9)5-6-13(2)11(10)14/h3-7,12H,1-2H3
InChIKeyYJKGDMUFRXIJEZ-UHFFFAOYSA-N
XLogP1.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylamino)isoquinolin-1-one?
The IUPAC name of 2-methyl-6-(methylamino)isoquinolin-1-one (CID 20799475) is 2-methyl-6-(methylamino)isoquinolin-1-one.
What is the SMILES notation for 2-methyl-6-(methylamino)isoquinolin-1-one?
The canonical SMILES for 2-methyl-6-(methylamino)isoquinolin-1-one is CNc1ccc2c(=O)n(C)ccc2c1.
What is the InChIKey of 2-methyl-6-(methylamino)isoquinolin-1-one?
The InChIKey is YJKGDMUFRXIJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-12-9-3-4-10-8(7-9)5-6-13(2)11(10)14/h3-7,12H,1-2H3.
What are the key properties of 2-methyl-6-(methylamino)isoquinolin-1-one?
2-methyl-6-(methylamino)isoquinolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylamino)isoquinolin-1-one is sourced from PubChem (CID 20799475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).