1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid

C12H8F3NO3 — CID 82213142

IUPAC1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid
SMILESCn1c(=O)ccc2cc(C(=O)O)cc(C(F)(F)F)c21
InChIInChI=1S/C12H8F3NO3/c1-16-9(17)3-2-6-4-7(11(18)19)5-8(10(6)16)12(13,14)15/h2-5H,1H3,(H,18,19)
InChIKeyXZUUNFGMGCXAIA-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.26
Rot. Bonds1

About 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid

1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid (PubChem CID 82213142) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid
PubChem CID82213142
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid
SMILESCn1c(=O)ccc2cc(C(=O)O)cc(C(F)(F)F)c21
InChIInChI=1S/C12H8F3NO3/c1-16-9(17)3-2-6-4-7(11(18)19)5-8(10(6)16)12(13,14)15/h2-5H,1H3,(H,18,19)
InChIKeyXZUUNFGMGCXAIA-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid (CID 82213142) is 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid is Cn1c(=O)ccc2cc(C(=O)O)cc(C(F)(F)F)c21.
What is the InChIKey of 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid?
The InChIKey is XZUUNFGMGCXAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c1-16-9(17)3-2-6-4-7(11(18)19)5-8(10(6)16)12(13,14)15/h2-5H,1H3,(H,18,19).
What are the key properties of 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid?
1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid has a molecular weight of 271.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-8-(trifluoromethyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 82213142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).