2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

C16H10F3NO3S — CID 3918730

IUPAC2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)s1
InChIInChI=1S/C16H10F3NO3S/c1-8-2-5-14(24-8)13-7-11(15(21)22)10-6-9(23-16(17,18)19)3-4-12(10)20-13/h2-7H,1H3,(H,21,22)
InChIKeyMFPRNMNFWRWIGT-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.87
Rot. Bonds3

About 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (PubChem CID 3918730) has the molecular formula C16H10F3NO3S and a molecular weight of 353.32 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
PubChem CID3918730
Molecular FormulaC16H10F3NO3S
Molecular Weight353.32 g/mol
Exact Mass353.03
IUPAC Name2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)s1
InChIInChI=1S/C16H10F3NO3S/c1-8-2-5-14(24-8)13-7-11(15(21)22)10-6-9(23-16(17,18)19)3-4-12(10)20-13/h2-7H,1H3,(H,21,22)
InChIKeyMFPRNMNFWRWIGT-UHFFFAOYSA-N
XLogP4.87
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(5-methylthiophen-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 4001748
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
8-fluoro-6-methyl-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63463310
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
5-bromo-2-(5-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 29041657

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The IUPAC name of 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (CID 3918730) is 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The InChIKey is MFPRNMNFWRWIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3S/c1-8-2-5-14(24-8)13-7-11(15(21)22)10-6-9(23-16(17,18)19)3-4-12(10)20-13/h2-7H,1H3,(H,21,22).
What are the key properties of 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid has a molecular weight of 353.32 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 3918730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).