6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid

C11H9NO4 — CID 22017520

IUPAC6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCOc1ccc2[nH]c(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C11H9NO4/c1-16-6-2-3-8-7(4-6)10(13)5-9(12-8)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyXQWCILGCSOTHNP-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.23
Rot. Bonds2

About 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid

6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 22017520) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID22017520
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCOc1ccc2[nH]c(C(=O)O)cc(=O)c2c1
InChIInChI=1S/C11H9NO4/c1-16-6-2-3-8-7(4-6)10(13)5-9(12-8)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyXQWCILGCSOTHNP-UHFFFAOYSA-N
XLogP1.23
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid (CID 22017520) is 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid is COc1ccc2[nH]c(C(=O)O)cc(=O)c2c1.
What is the InChIKey of 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is XQWCILGCSOTHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-16-6-2-3-8-7(4-6)10(13)5-9(12-8)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid?
6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 22017520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).