4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one

C13H15NO4 — CID 10857848

IUPAC4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one
SMILESCOCc1c(OC)c2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C13H15NO4/c1-16-7-10-12(18-3)9-5-4-8(17-2)6-11(9)14-13(10)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWBHOECNXRGZKAH-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.69
Rot. Bonds4

About 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one

4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one (PubChem CID 10857848) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one
PubChem CID10857848
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one
SMILESCOCc1c(OC)c2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C13H15NO4/c1-16-7-10-12(18-3)9-5-4-8(17-2)6-11(9)14-13(10)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyWBHOECNXRGZKAH-UHFFFAOYSA-N
XLogP1.69
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
CID 795596
5-methoxy-3-phenyl-1H-quinolin-2-one
CID 1485674
10-Methoxy-2,2-dimethyl-2,6-dihydropyrano(3,2-c)quinolin-5-one
CID 12968471
7-Methoxy-4-methylquinolin-2-ol
CID 761548
2-Hydroxy-7-methoxyquinoline-3-carbaldehyde
CID 600262
7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline
CID 643478
7-Methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
CID 1085177
N-(3-methoxyphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 9550180
4-Methyl-2-oxo-1,2-dihydroquinolin-7-yl acetate
CID 600284
4-Hydroxy-7-methoxy-3-phenylquinolin-2(1H)-one
CID 54704900

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one?
The IUPAC name of 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one (CID 10857848) is 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one is COCc1c(OC)c2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one?
The InChIKey is WBHOECNXRGZKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-16-7-10-12(18-3)9-5-4-8(17-2)6-11(9)14-13(10)15/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one?
4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 10857848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).