6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one

C12H14N2O2 — CID 91123031

IUPAC6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCN(C)c1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C12H14N2O2/c1-13(2)9-4-5-10-8(6-9)7-11(15)14(3)12(10)16/h4-7,16H,1-3H3
InChIKeyLBQMLHFVSWJVCT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.31
Rot. Bonds1

About 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one

6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 91123031) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID91123031
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one
SMILESCN(C)c1ccc2c(O)n(C)c(=O)cc2c1
InChIInChI=1S/C12H14N2O2/c1-13(2)9-4-5-10-8(6-9)7-11(15)14(3)12(10)16/h4-7,16H,1-3H3
InChIKeyLBQMLHFVSWJVCT-UHFFFAOYSA-N
XLogP1.31
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one (CID 91123031) is 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one is CN(C)c1ccc2c(O)n(C)c(=O)cc2c1.
What is the InChIKey of 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is LBQMLHFVSWJVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-13(2)9-4-5-10-8(6-9)7-11(15)14(3)12(10)16/h4-7,16H,1-3H3.
What are the key properties of 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one?
6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 91123031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).