6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one

C12H13NO3 — CID 14067800

IUPAC6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one
SMILESCOc1cc(OC)c2c(C)[nH]c(=O)cc2c1
InChIInChI=1S/C12H13NO3/c1-7-12-8(5-11(14)13-7)4-9(15-2)6-10(12)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyAZWXDYGXDBZITB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.85
Rot. Bonds2

About 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one

6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one (PubChem CID 14067800) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one
PubChem CID14067800
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one
SMILESCOc1cc(OC)c2c(C)[nH]c(=O)cc2c1
InChIInChI=1S/C12H13NO3/c1-7-12-8(5-11(14)13-7)4-9(15-2)6-10(12)16-3/h4-6H,1-3H3,(H,13,14)
InChIKeyAZWXDYGXDBZITB-UHFFFAOYSA-N
XLogP1.85
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cassiarin A
CID 17756117
1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one
CID 2818501
4-Ethyl-6,7-dimethoxy-1-methyl-3(2h)-isoquinolinone
CID 14067808
3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
CID 613013
6,7-dimethoxy-1,4-dimethyl-2H-isoquinolin-3-one
CID 14067809
6-Methoxy-1-methylisoquinolin-3(2H)-one
CID 6624932
7-Ethoxy-3-hydroxy-6-methoxy-1-methylisoquinoline
CID 10014202
4-chloro-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 14067774
3(2H)-Isoquinolinone, 7,8-dimethoxy-1-methyl-
CID 14067797
6,7,8-Trimethoxy-1-methyl-3(2h)-isoquinolinone
CID 14067799
4-Amino-3-hydroxy-6,7-dimethoxy-1-methylisoquinoline
CID 14075516
7-Butoxy-6-methoxy-1-methyl-3(2h)-isoquinolinone
CID 14067801

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one?
The IUPAC name of 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one (CID 14067800) is 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one is COc1cc(OC)c2c(C)[nH]c(=O)cc2c1.
What is the InChIKey of 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one?
The InChIKey is AZWXDYGXDBZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-12-8(5-11(14)13-7)4-9(15-2)6-10(12)16-3/h4-6H,1-3H3,(H,13,14).
What are the key properties of 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one?
6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one has a molecular weight of 219.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 14067800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).