4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid

C11H6F3NO3 — CID 14842744

IUPAC4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-7-6(3-5)9(16)4-8(15-7)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyZPAPYXXHJHFMJO-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.25
Rot. Bonds1

About 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid

4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid (PubChem CID 14842744) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid
PubChem CID14842744
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-7-6(3-5)9(16)4-8(15-7)10(17)18/h1-4H,(H,15,16)(H,17,18)
InChIKeyZPAPYXXHJHFMJO-UHFFFAOYSA-N
XLogP2.25
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid (CID 14842744) is 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
The InChIKey is ZPAPYXXHJHFMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-7-6(3-5)9(16)4-8(15-7)10(17)18/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid?
4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 14842744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).