4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid

C12H11NO5 — CID 928874

IUPAC4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(=O)[nH]c2c(OC)cccc12
InChIInChI=1S/C12H11NO5/c1-17-7-5-3-4-6-9(7)13-11(14)8(12(15)16)10(6)18-2/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyFNXGDPWXITYSJO-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.24
Rot. Bonds3

About 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid

4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 928874) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID928874
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1c(C(=O)O)c(=O)[nH]c2c(OC)cccc12
InChIInChI=1S/C12H11NO5/c1-17-7-5-3-4-6-9(7)13-11(14)8(12(15)16)10(6)18-2/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyFNXGDPWXITYSJO-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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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 928874) is 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid is COc1c(C(=O)O)c(=O)[nH]c2c(OC)cccc12.
What is the InChIKey of 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FNXGDPWXITYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-17-7-5-3-4-6-9(7)13-11(14)8(12(15)16)10(6)18-2/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
4,8-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 4,8-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 928874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).