4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid

C18H12F3NO3 — CID 46225535

IUPAC4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc2c1=O
InChIInChI=1S/C18H12F3NO3/c19-18(20,21)12-5-3-4-11(8-12)9-22-10-14(17(24)25)16(23)13-6-1-2-7-15(13)22/h1-8,10H,9H2,(H,24,25)
InChIKeyQFNVIQOEISSIPL-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.77
Rot. Bonds3

About 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid

4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid (PubChem CID 46225535) has the molecular formula C18H12F3NO3 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid
PubChem CID46225535
Molecular FormulaC18H12F3NO3
Molecular Weight347.29 g/mol
Exact Mass347.08
IUPAC Name4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc2c1=O
InChIInChI=1S/C18H12F3NO3/c19-18(20,21)12-5-3-4-11(8-12)9-22-10-14(17(24)25)16(23)13-6-1-2-7-15(13)22/h1-8,10H,9H2,(H,24,25)
InChIKeyQFNVIQOEISSIPL-UHFFFAOYSA-N
XLogP3.77
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid (CID 46225535) is 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid?
The InChIKey is QFNVIQOEISSIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3/c19-18(20,21)12-5-3-4-11(8-12)9-22-10-14(17(24)25)16(23)13-6-1-2-7-15(13)22/h1-8,10H,9H2,(H,24,25).
What are the key properties of 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid?
4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid has a molecular weight of 347.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 46225535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).