3,4,7-trimethoxy-1-methylquinolin-2-one

C13H15NO4 — CID 20676861

IUPAC3,4,7-trimethoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(OC)c(OC)c(=O)n(C)c2c1
InChIInChI=1S/C13H15NO4/c1-14-10-7-8(16-2)5-6-9(10)11(17-3)12(18-4)13(14)15/h5-7H,1-4H3
InChIKeyVKWNDOBPBOOMBP-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.56
Rot. Bonds3

About 3,4,7-trimethoxy-1-methylquinolin-2-one

3,4,7-trimethoxy-1-methylquinolin-2-one (PubChem CID 20676861) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3,4,7-trimethoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3,4,7-trimethoxy-1-methylquinolin-2-one
PubChem CID20676861
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3,4,7-trimethoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(OC)c(OC)c(=O)n(C)c2c1
InChIInChI=1S/C13H15NO4/c1-14-10-7-8(16-2)5-6-9(10)11(17-3)12(18-4)13(14)15/h5-7H,1-4H3
InChIKeyVKWNDOBPBOOMBP-UHFFFAOYSA-N
XLogP1.56
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethoxy-1-methylquinolin-2-one?
The IUPAC name of 3,4,7-trimethoxy-1-methylquinolin-2-one (CID 20676861) is 3,4,7-trimethoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3,4,7-trimethoxy-1-methylquinolin-2-one?
The canonical SMILES for 3,4,7-trimethoxy-1-methylquinolin-2-one is COc1ccc2c(OC)c(OC)c(=O)n(C)c2c1.
What is the InChIKey of 3,4,7-trimethoxy-1-methylquinolin-2-one?
The InChIKey is VKWNDOBPBOOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14-10-7-8(16-2)5-6-9(10)11(17-3)12(18-4)13(14)15/h5-7H,1-4H3.
What are the key properties of 3,4,7-trimethoxy-1-methylquinolin-2-one?
3,4,7-trimethoxy-1-methylquinolin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethoxy-1-methylquinolin-2-one is sourced from PubChem (CID 20676861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).