6,7-dimethoxy-2,3-dimethylisoquinolin-1-one

C13H15NO3 — CID 5257820

IUPAC6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
SMILESCOc1cc2cc(C)n(C)c(=O)c2cc1OC
InChIInChI=1S/C13H15NO3/c1-8-5-9-6-11(16-3)12(17-4)7-10(9)13(15)14(8)2/h5-7H,1-4H3
InChIKeyIDLUFBQOWZTQHN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.86
Rot. Bonds2

About 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one

6,7-dimethoxy-2,3-dimethylisoquinolin-1-one (PubChem CID 5257820) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
PubChem CID5257820
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
SMILESCOc1cc2cc(C)n(C)c(=O)c2cc1OC
InChIInChI=1S/C13H15NO3/c1-8-5-9-6-11(16-3)12(17-4)7-10(9)13(15)14(8)2/h5-7H,1-4H3
InChIKeyIDLUFBQOWZTQHN-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-2,3-dimethylisoquinolin-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

Related Compounds

5,6,7-trimethoxy-1,2-dimethylindole
CID 141308124
6,7-dimethoxy-2,3-dimethyl-4-propan-2-ylisoquinolin-1-one
CID 165044810
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
7-methoxy-2-methyl-6-propan-2-yloxyphthalazin-1-one
CID 175748862
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
6-bromo-5-methoxy-1,2-dimethylindole
CID 933997
8,9-dimethoxy-5-methylbenzo[c]phenanthridin-6-one
CID 10245385
2-ethyl-6,7-dimethoxyphthalazin-1-one
CID 125457648
3-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 102533829
(4S)-6,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 125428594
7-methoxy-1,2-dimethylindole
CID 82279889
6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802197

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one?
The IUPAC name of 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one (CID 5257820) is 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one.
What is the SMILES notation for 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one?
The canonical SMILES for 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one is COc1cc2cc(C)n(C)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one?
The InChIKey is IDLUFBQOWZTQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-9-6-11(16-3)12(17-4)7-10(9)13(15)14(8)2/h5-7H,1-4H3.
What are the key properties of 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one?
6,7-dimethoxy-2,3-dimethylisoquinolin-1-one has a molecular weight of 233.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3-dimethylisoquinolin-1-one is sourced from PubChem (CID 5257820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).