4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate

C11H5F3NO3- — CID 7062046

IUPAC4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2ccc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18)/p-1
InChIKeyVUPSPASQZKLXMI-UHFFFAOYSA-M
MW256.16 g/mol
LogP0.91
Rot. Bonds1

About 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate

4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate (PubChem CID 7062046) has the molecular formula C11H5F3NO3- and a molecular weight of 256.16 g/mol. Its IUPAC name is 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
PubChem CID7062046
Molecular FormulaC11H5F3NO3-
Molecular Weight256.16 g/mol
Exact Mass256.02
IUPAC Name4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
SMILESO=C([O-])c1c[nH]c2ccc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18)/p-1
InChIKeyVUPSPASQZKLXMI-UHFFFAOYSA-M
XLogP0.91
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
3-iodo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 102537541
6-acetyl-4-oxo-1H-quinoline-3-carboxylate
CID 4276311
6,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 7017062
5-(trifluoromethyl)-1H-indole-3-carbonyl azide
CID 169186501
4-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-1H-quinoline-3-carboxylic acid
CID 162518072
(Z)-3-[5-(trifluoromethyl)-1H-indol-3-yl]prop-2-enoic acid
CID 83971109
methyl 2-oxo-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 11818094
5-amino-1H-indole-3-carboxylate
CID 36690512
9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 10566636
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 5061749

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate?
The IUPAC name of 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate (CID 7062046) is 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate.
What is the SMILES notation for 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate?
The canonical SMILES for 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate is O=C([O-])c1c[nH]c2ccc(C(F)(F)F)cc2c1=O.
What is the InChIKey of 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate?
The InChIKey is VUPSPASQZKLXMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)5-1-2-8-6(3-5)9(16)7(4-15-8)10(17)18/h1-4H,(H,15,16)(H,17,18)/p-1.
What are the key properties of 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate?
4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate has a molecular weight of 256.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 7062046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).