6-(dimethylamino)-2H-isoquinolin-1-one

C11H12N2O — CID 57424142

IUPAC6-(dimethylamino)-2H-isoquinolin-1-one
SMILESCN(C)c1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C11H12N2O/c1-13(2)9-3-4-10-8(7-9)5-6-12-11(10)14/h3-7H,1-2H3,(H,12,14)
InChIKeyWTTHDMCWDJFQFR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.59
Rot. Bonds1

About 6-(dimethylamino)-2H-isoquinolin-1-one

6-(dimethylamino)-2H-isoquinolin-1-one (PubChem CID 57424142) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-(dimethylamino)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2H-isoquinolin-1-one
PubChem CID57424142
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-(dimethylamino)-2H-isoquinolin-1-one
SMILESCN(C)c1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C11H12N2O/c1-13(2)9-3-4-10-8(7-9)5-6-12-11(10)14/h3-7H,1-2H3,(H,12,14)
InChIKeyWTTHDMCWDJFQFR-UHFFFAOYSA-N
XLogP1.59
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(dimethylamino)-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2H-isoquinolin-1-one?
The IUPAC name of 6-(dimethylamino)-2H-isoquinolin-1-one (CID 57424142) is 6-(dimethylamino)-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(dimethylamino)-2H-isoquinolin-1-one?
The canonical SMILES for 6-(dimethylamino)-2H-isoquinolin-1-one is CN(C)c1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of 6-(dimethylamino)-2H-isoquinolin-1-one?
The InChIKey is WTTHDMCWDJFQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13(2)9-3-4-10-8(7-9)5-6-12-11(10)14/h3-7H,1-2H3,(H,12,14).
What are the key properties of 6-(dimethylamino)-2H-isoquinolin-1-one?
6-(dimethylamino)-2H-isoquinolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2H-isoquinolin-1-one is sourced from PubChem (CID 57424142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).