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

C12H13NO2 — CID 115022865

IUPAC7-methoxy-2,4-dimethylisoquinolin-1-one
SMILESCOc1ccc2c(C)cn(C)c(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-8-7-13(2)12(14)11-6-9(15-3)4-5-10(8)11/h4-7H,1-3H3
InChIKeyGWRPWORYGKLFLE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.86
Rot. Bonds1

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

7-methoxy-2,4-dimethylisoquinolin-1-one (PubChem CID 115022865) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-methoxy-2,4-dimethylisoquinolin-1-one.

Molecular Properties

Compound Name7-methoxy-2,4-dimethylisoquinolin-1-one
PubChem CID115022865
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-methoxy-2,4-dimethylisoquinolin-1-one
SMILESCOc1ccc2c(C)cn(C)c(=O)c2c1
InChIInChI=1S/C12H13NO2/c1-8-7-13(2)12(14)11-6-9(15-3)4-5-10(8)11/h4-7H,1-3H3
InChIKeyGWRPWORYGKLFLE-UHFFFAOYSA-N
XLogP1.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-7-methoxy-4-methylisoquinolin-1-one
CID 115030040
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
7-amino-2,4-dimethylisoquinolin-1-one
CID 115063555
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
4-methoxy-1,3,5-trimethylpyridin-2-one
CID 123400251
6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 11782327
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
6-methoxy-2-methyl-1,2-benzothiazol-3-one
CID 71513744
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
7-methoxy-1,4-dimethylisoquinoline
CID 72544129

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,4-dimethylisoquinolin-1-one?
The IUPAC name of 7-methoxy-2,4-dimethylisoquinolin-1-one (CID 115022865) is 7-methoxy-2,4-dimethylisoquinolin-1-one.
What is the SMILES notation for 7-methoxy-2,4-dimethylisoquinolin-1-one?
The canonical SMILES for 7-methoxy-2,4-dimethylisoquinolin-1-one is COc1ccc2c(C)cn(C)c(=O)c2c1.
What is the InChIKey of 7-methoxy-2,4-dimethylisoquinolin-1-one?
The InChIKey is GWRPWORYGKLFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-7-13(2)12(14)11-6-9(15-3)4-5-10(8)11/h4-7H,1-3H3.
What are the key properties of 7-methoxy-2,4-dimethylisoquinolin-1-one?
7-methoxy-2,4-dimethylisoquinolin-1-one has a molecular weight of 203.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,4-dimethylisoquinolin-1-one is sourced from PubChem (CID 115022865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).