2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid

C18H11F4NO3 — CID 4619139

IUPAC2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(F)cc1-c1cc(C(=O)O)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C18H11F4NO3/c1-26-16-5-3-10(19)7-13(16)15-8-12(17(24)25)11-6-9(18(20,21)22)2-4-14(11)23-15/h2-8H,1H3,(H,24,25)
InChIKeyMXILFEXRSPDFJU-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.77
Rot. Bonds3

About 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid

2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 4619139) has the molecular formula C18H11F4NO3 and a molecular weight of 365.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID4619139
Molecular FormulaC18H11F4NO3
Molecular Weight365.28 g/mol
Exact Mass365.07
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(F)cc1-c1cc(C(=O)O)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C18H11F4NO3/c1-26-16-5-3-10(19)7-13(16)15-8-12(17(24)25)11-6-9(18(20,21)22)2-4-14(11)23-15/h2-8H,1H3,(H,24,25)
InChIKeyMXILFEXRSPDFJU-UHFFFAOYSA-N
XLogP4.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-(5-fluoro-2-methoxyphenyl)quinoline-4-carboxylic acid
CID 4538129
2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 160851674
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322333
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356
2-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 107957266

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid (CID 4619139) is 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid is COc1ccc(F)cc1-c1cc(C(=O)O)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is MXILFEXRSPDFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO3/c1-26-16-5-3-10(19)7-13(16)15-8-12(17(24)25)11-6-9(18(20,21)22)2-4-14(11)23-15/h2-8H,1H3,(H,24,25).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid?
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 365.28 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4619139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).