6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid

C12H11NO5 — CID 22649364

IUPAC6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc2cc(C(=O)O)c(=O)[nH]c2cc1OC
InChIInChI=1S/C12H11NO5/c1-17-9-4-6-3-7(12(15)16)11(14)13-8(6)5-10(9)18-2/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGOUXIRZIIJBHEA-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.24
Rot. Bonds3

About 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid

6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 22649364) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID22649364
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc2cc(C(=O)O)c(=O)[nH]c2cc1OC
InChIInChI=1S/C12H11NO5/c1-17-9-4-6-3-7(12(15)16)11(14)13-8(6)5-10(9)18-2/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGOUXIRZIIJBHEA-UHFFFAOYSA-N
XLogP1.24
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 18847882
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296
3-[7-methoxy-6-(2-methoxyethoxy)-2-oxo-1H-quinoline-3-carbonyl]benzoic acid
CID 70580649
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 22649364) is 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid is COc1cc2cc(C(=O)O)c(=O)[nH]c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is GOUXIRZIIJBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-17-9-4-6-3-7(12(15)16)11(14)13-8(6)5-10(9)18-2/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22649364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).