7,8-dimethoxy-1,4-dimethylquinolin-2-one

C13H15NO3 — CID 42618029

IUPAC7,8-dimethoxy-1,4-dimethylquinolin-2-one
SMILESCOc1ccc2c(C)cc(=O)n(C)c2c1OC
InChIInChI=1S/C13H15NO3/c1-8-7-11(15)14(2)12-9(8)5-6-10(16-3)13(12)17-4/h5-7H,1-4H3
InChIKeyDHJBSOKLGMWDBA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.86
Rot. Bonds2

About 7,8-dimethoxy-1,4-dimethylquinolin-2-one

7,8-dimethoxy-1,4-dimethylquinolin-2-one (PubChem CID 42618029) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7,8-dimethoxy-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name7,8-dimethoxy-1,4-dimethylquinolin-2-one
PubChem CID42618029
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name7,8-dimethoxy-1,4-dimethylquinolin-2-one
SMILESCOc1ccc2c(C)cc(=O)n(C)c2c1OC
InChIInChI=1S/C13H15NO3/c1-8-7-11(15)14(2)12-9(8)5-6-10(16-3)13(12)17-4/h5-7H,1-4H3
InChIKeyDHJBSOKLGMWDBA-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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1,4-dimethylquinolin-2-one?
The IUPAC name of 7,8-dimethoxy-1,4-dimethylquinolin-2-one (CID 42618029) is 7,8-dimethoxy-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 7,8-dimethoxy-1,4-dimethylquinolin-2-one?
The canonical SMILES for 7,8-dimethoxy-1,4-dimethylquinolin-2-one is COc1ccc2c(C)cc(=O)n(C)c2c1OC.
What is the InChIKey of 7,8-dimethoxy-1,4-dimethylquinolin-2-one?
The InChIKey is DHJBSOKLGMWDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)12-9(8)5-6-10(16-3)13(12)17-4/h5-7H,1-4H3.
What are the key properties of 7,8-dimethoxy-1,4-dimethylquinolin-2-one?
7,8-dimethoxy-1,4-dimethylquinolin-2-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 7,8-dimethoxy-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 42618029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).