1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one

C11H12N2O2 — CID 90746456

IUPAC1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
SMILESCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C11H12N2O2/c1-12-8-3-4-9-7(5-8)6-10(14)13(2)11(9)15/h3-6,12,15H,1-2H3
InChIKeyURKBGZVBCMXWEL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.29
Rot. Bonds1

About 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one

1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one (PubChem CID 90746456) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one.

Molecular Properties

Compound Name1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
PubChem CID90746456
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
SMILESCNc1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C11H12N2O2/c1-12-8-3-4-9-7(5-8)6-10(14)13(2)11(9)15/h3-6,12,15H,1-2H3
InChIKeyURKBGZVBCMXWEL-UHFFFAOYSA-N
XLogP1.29
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-3(2H)-isoquinolinone
CID 97289954
1-hydroxy-4-(methylamino)-2H-isoquinolin-3-one
CID 6494987
1-Hydroxy-2-methyl-6-(2,2,2-trifluoroethylamino)isoquinolin-3-one
CID 91081208
6-amino-1-hydroxy-2H-isoquinolin-3-one
CID 21290260
N-[2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl]acetamide
CID 53755388
3-Hydroxy-2-methylisoquinolin-1(2H)-one
CID 53805382
5-(1,2-dihydropyridin-4-yl)-6-hydroxy-4-methyl-1H-pyridin-2-one
CID 70584276
7-Bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
CID 90727190
1-Hydroxy-2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-3-one
CID 90767934
5-hydroxy-6-methyl-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-7-one
CID 90972402
6-(Cyclopropylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91093639
7-Bromo-6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one
CID 91113481

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The IUPAC name of 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one (CID 90746456) is 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one.
What is the SMILES notation for 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The canonical SMILES for 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one is CNc1ccc2c(O)n(C)c(=O)cc2c1.
What is the InChIKey of 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The InChIKey is URKBGZVBCMXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12-8-3-4-9-7(5-8)6-10(14)13(2)11(9)15/h3-6,12,15H,1-2H3.
What are the key properties of 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one is sourced from PubChem (CID 90746456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).