5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid

C12H8F3NO3 — CID 151411022

IUPAC5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESCc1cccc2c1c(=O)c(C(=O)O)cn2C(F)(F)F
InChIInChI=1S/C12H8F3NO3/c1-6-3-2-4-8-9(6)10(17)7(11(18)19)5-16(8)12(13,14)15/h2-5H,1H3,(H,18,19)
InChIKeyOYNJVZRKJPZMEN-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.48
Rot. Bonds1

About 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid

5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid (PubChem CID 151411022) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid
PubChem CID151411022
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid
SMILESCc1cccc2c1c(=O)c(C(=O)O)cn2C(F)(F)F
InChIInChI=1S/C12H8F3NO3/c1-6-3-2-4-8-9(6)10(17)7(11(18)19)5-16(8)12(13,14)15/h2-5H,1H3,(H,18,19)
InChIKeyOYNJVZRKJPZMEN-UHFFFAOYSA-N
XLogP2.48
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 91116192
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
ethane;2-fluoro-3-methylbenzoic acid
CID 145191844
1-(1-ethyl-4-methylindol-3-yl)ethanone
CID 117119610
1-(1,4-dimethylindol-3-yl)ethanone
CID 82655711
1-propan-2-yl-4-(trifluoromethyl)indole-3-carboxylic acid
CID 117119563
1,8-dimethylnaphthalene-2-carboxylic acid
CID 115057529
1-(2,3-dimethylphenyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541232
8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 53269520

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid (CID 151411022) is 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid is Cc1cccc2c1c(=O)c(C(=O)O)cn2C(F)(F)F.
What is the InChIKey of 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid?
The InChIKey is OYNJVZRKJPZMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c1-6-3-2-4-8-9(6)10(17)7(11(18)19)5-16(8)12(13,14)15/h2-5H,1H3,(H,18,19).
What are the key properties of 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid?
5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid has a molecular weight of 271.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-1-(trifluoromethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 151411022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).