7-amino-2,4-dimethylisoquinolin-1-one

C11H12N2O — CID 115063555

IUPAC7-amino-2,4-dimethylisoquinolin-1-one
SMILESCc1cn(C)c(=O)c2cc(N)ccc12
InChIInChI=1S/C11H12N2O/c1-7-6-13(2)11(14)10-5-8(12)3-4-9(7)10/h3-6H,12H2,1-2H3
InChIKeyJTKQBNCOOMLXNF-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.43
Rot. Bonds

About 7-amino-2,4-dimethylisoquinolin-1-one

7-amino-2,4-dimethylisoquinolin-1-one (PubChem CID 115063555) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 7-amino-2,4-dimethylisoquinolin-1-one.

Molecular Properties

Compound Name7-amino-2,4-dimethylisoquinolin-1-one
PubChem CID115063555
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name7-amino-2,4-dimethylisoquinolin-1-one
SMILESCc1cn(C)c(=O)c2cc(N)ccc12
InChIInChI=1S/C11H12N2O/c1-7-6-13(2)11(14)10-5-8(12)3-4-9(7)10/h3-6H,12H2,1-2H3
InChIKeyJTKQBNCOOMLXNF-UHFFFAOYSA-N
XLogP1.43
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
7-methoxy-2,4-dimethylisoquinolin-1-one
CID 115022865
7-amino-2,5-dimethylisoquinolin-1-one
CID 156819887
2,4,6-trimethylisoquinolin-1-one
CID 59073854
5-amino-1,3-dimethylpyridin-2-one
CID 67456616
2-amino-5,7-dimethylthieno[3,2-c]pyridin-4-one
CID 176653424
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
4-tert-butyl-2,6-dimethylisoquinolin-1-one
CID 115063422
7-amino-1-methylquinolin-4-one
CID 10329797
4-methoxy-1,3,5-trimethylpyridin-2-one
CID 123400251
4-(3-aminophenyl)-2-methyl-6-phenylisoquinolin-1-one
CID 134310742
4-(3-aminophenyl)-6-fluoro-2-methylisoquinolin-1-one
CID 134310818

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,4-dimethylisoquinolin-1-one?
The IUPAC name of 7-amino-2,4-dimethylisoquinolin-1-one (CID 115063555) is 7-amino-2,4-dimethylisoquinolin-1-one.
What is the SMILES notation for 7-amino-2,4-dimethylisoquinolin-1-one?
The canonical SMILES for 7-amino-2,4-dimethylisoquinolin-1-one is Cc1cn(C)c(=O)c2cc(N)ccc12.
What is the InChIKey of 7-amino-2,4-dimethylisoquinolin-1-one?
The InChIKey is JTKQBNCOOMLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-6-13(2)11(14)10-5-8(12)3-4-9(7)10/h3-6H,12H2,1-2H3.
What are the key properties of 7-amino-2,4-dimethylisoquinolin-1-one?
7-amino-2,4-dimethylisoquinolin-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,4-dimethylisoquinolin-1-one is sourced from PubChem (CID 115063555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).