2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid

C24H15F4NO2 — CID 160851674

IUPAC2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1
InChIInChI=1S/C24H15F4NO2/c1-13-8-16(10-18(25)9-13)14-2-4-15(5-3-14)22-12-20(23(30)31)19-11-17(24(26,27)28)6-7-21(19)29-22/h2-12H,1H3,(H,30,31)
InChIKeyJUOLXASHEULCIQ-UHFFFAOYSA-N
MW425.38 g/mol
LogP6.73
Rot. Bonds3

About 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid

2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 160851674) has the molecular formula C24H15F4NO2 and a molecular weight of 425.38 g/mol. Its IUPAC name is 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID160851674
Molecular FormulaC24H15F4NO2
Molecular Weight425.38 g/mol
Exact Mass425.10
IUPAC Name2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1
InChIInChI=1S/C24H15F4NO2/c1-13-8-16(10-18(25)9-13)14-2-4-15(5-3-14)22-12-20(23(30)31)19-11-17(24(26,27)28)6-7-21(19)29-22/h2-12H,1H3,(H,30,31)
InChIKeyJUOLXASHEULCIQ-UHFFFAOYSA-N
XLogP6.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.38
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid;2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid;2-[4-(3-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 160851672
2-[4-(4-propoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380378
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
2-[4-[4-(ethylamino)phenyl]-3-fluorophenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 156547433
methyl 2-[4-(4-propan-2-yloxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylate
CID 170148709
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-(trifluoromethyl)quinoline
CID 11825462
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid (CID 160851674) is 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid is Cc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1.
What is the InChIKey of 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is JUOLXASHEULCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4NO2/c1-13-8-16(10-18(25)9-13)14-2-4-15(5-3-14)22-12-20(23(30)31)19-11-17(24(26,27)28)6-7-21(19)29-22/h2-12H,1H3,(H,30,31).
What are the key properties of 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 425.38 g/mol, XLogP of 6.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-5-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 160851674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).