4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid

C11H6F3NO4 — CID 39732567

IUPAC4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyPAQOAIXSLIRCTC-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.12
Rot. Bonds2

About 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid

4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid (PubChem CID 39732567) has the molecular formula C11H6F3NO4 and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid
PubChem CID39732567
Molecular FormulaC11H6F3NO4
Molecular Weight273.17 g/mol
Exact Mass273.02
IUPAC Name4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyPAQOAIXSLIRCTC-UHFFFAOYSA-N
XLogP2.12
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid (CID 39732567) is 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid is O=C(O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O.
What is the InChIKey of 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid?
The InChIKey is PAQOAIXSLIRCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-2-5-8(7)15-4-6(9(5)16)10(17)18/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid?
4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid has a molecular weight of 273.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 39732567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).