4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid

C13H10F3NO3 — CID 64566721

IUPAC4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCC(F)(F)F)c2ccccc2c1=O
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)5-6-17-7-9(12(19)20)11(18)8-3-1-2-4-10(8)17/h1-4,7H,5-6H2,(H,19,20)
InChIKeySFKYGZKVWXFEHB-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.65
Rot. Bonds3

About 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid

4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid (PubChem CID 64566721) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
PubChem CID64566721
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(CCC(F)(F)F)c2ccccc2c1=O
InChIInChI=1S/C13H10F3NO3/c14-13(15,16)5-6-17-7-9(12(19)20)11(18)8-3-1-2-4-10(8)17/h1-4,7H,5-6H2,(H,19,20)
InChIKeySFKYGZKVWXFEHB-UHFFFAOYSA-N
XLogP2.65
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-[(2-chloro-6-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771888
1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 91240711
8-fluoro-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
CID 82250393
4-[(3-acetyl-4-oxoquinolin-1-yl)methyl]benzoic acid
CID 122188097
1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
1-octyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 142567534

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid (CID 64566721) is 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid is O=C(O)c1cn(CCC(F)(F)F)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid?
The InChIKey is SFKYGZKVWXFEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-13(15,16)5-6-17-7-9(12(19)20)11(18)8-3-1-2-4-10(8)17/h1-4,7H,5-6H2,(H,19,20).
What are the key properties of 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid?
4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 64566721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).