6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one

C12H13NO2 — CID 82276334

IUPAC6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
SMILESCOc1cc(C)c2c(=O)[nH]ccc2c1C
InChIInChI=1S/C12H13NO2/c1-7-6-10(15-3)8(2)9-4-5-13-12(14)11(7)9/h4-6H,1-3H3,(H,13,14)
InChIKeyLIKWVBXZXQDLPV-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.15
Rot. Bonds1

About 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one

6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one (PubChem CID 82276334) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
PubChem CID82276334
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
SMILESCOc1cc(C)c2c(=O)[nH]ccc2c1C
InChIInChI=1S/C12H13NO2/c1-7-6-10(15-3)8(2)9-4-5-13-12(14)11(7)9/h4-6H,1-3H3,(H,13,14)
InChIKeyLIKWVBXZXQDLPV-UHFFFAOYSA-N
XLogP2.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one
CID 163616268
5-chloro-8-methyl-2H-isoquinolin-1-one
CID 114517495
7-fluoro-5-methoxy-2H-isoquinolin-1-one
CID 71742702
3,4-dimethyl-1H-pyridin-2-one;ethane
CID 177021392
5-bromo-6-methoxy-2H-isoquinolin-1-one
CID 82572165
3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071
8-fluoro-5-methyl-2H-isoquinolin-1-one
CID 114517488
6,7-dimethoxy-8-nitro-2H-isoquinolin-1-one
CID 24971761
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
2-methoxy-1,4,6-trimethylnaphthalene
CID 23166352
4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one
CID 116879765
6-methoxy-5-nitro-2H-isoquinolin-1-one
CID 141222598

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one?
The IUPAC name of 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one (CID 82276334) is 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one is COc1cc(C)c2c(=O)[nH]ccc2c1C.
What is the InChIKey of 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one?
The InChIKey is LIKWVBXZXQDLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-6-10(15-3)8(2)9-4-5-13-12(14)11(7)9/h4-6H,1-3H3,(H,13,14).
What are the key properties of 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one?
6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one is sourced from PubChem (CID 82276334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).