6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid

C12H11NO5 — CID 735359

IUPAC6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc(OC)c2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C12H11NO5/c1-17-6-3-7-10(9(4-6)18-2)13-5-8(11(7)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyUAUGYIAYNNSEBS-UHFFFAOYSA-N
MW249.22 g/mol
LogP1.24
Rot. Bonds3

About 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid

6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 735359) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID735359
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc(OC)c2[nH]cc(C(=O)O)c(=O)c2c1
InChIInChI=1S/C12H11NO5/c1-17-6-3-7-10(9(4-6)18-2)13-5-8(11(7)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyUAUGYIAYNNSEBS-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 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid (CID 735359) is 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid is COc1cc(OC)c2[nH]cc(C(=O)O)c(=O)c2c1.
What is the InChIKey of 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is UAUGYIAYNNSEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-17-6-3-7-10(9(4-6)18-2)13-5-8(11(7)14)12(15)16/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid?
6,8-dimethoxy-4-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 6,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 735359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).