2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid

C11H6F3NO4 — CID 156621264

IUPAC2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid
SMILESO=C1C=CC2C(C(=O)O)=CC=C(OC(F)(F)F)C2=N1
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-6(10(17)18)5-2-4-8(16)15-9(5)7/h1-5H,(H,17,18)
InChIKeyQIUKWQPVGMIOFC-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.58
Rot. Bonds2

About 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid

2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid (PubChem CID 156621264) has the molecular formula C11H6F3NO4 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid
PubChem CID156621264
Molecular FormulaC11H6F3NO4
Molecular Weight273.17 g/mol
Exact Mass273.02
IUPAC Name2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid
SMILESO=C1C=CC2C(C(=O)O)=CC=C(OC(F)(F)F)C2=N1
InChIInChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-6(10(17)18)5-2-4-8(16)15-9(5)7/h1-5H,(H,17,18)
InChIKeyQIUKWQPVGMIOFC-UHFFFAOYSA-N
XLogP1.58
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid?
The IUPAC name of 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid (CID 156621264) is 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid.
What is the SMILES notation for 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid?
The canonical SMILES for 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid is O=C1C=CC2C(C(=O)O)=CC=C(OC(F)(F)F)C2=N1.
What is the InChIKey of 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid?
The InChIKey is QIUKWQPVGMIOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO4/c12-11(13,14)19-7-3-1-6(10(17)18)5-2-4-8(16)15-9(5)7/h1-5H,(H,17,18).
What are the key properties of 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid?
2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid has a molecular weight of 273.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8-(trifluoromethoxy)-4aH-quinoline-5-carboxylic acid is sourced from PubChem (CID 156621264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).