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

C71H44F11N3O6 — CID 160851672

IUPAC2-[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
SMILESCc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1.Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1.O=C(O)c1cc(-c2ccc(-c3ccccc3F)cc2)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H15F4NO2.C24H16F3NO2.C23H13F4NO2/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;1-14-3-2-4-17(11-14)15-5-7-16(8-6-15)22-13-20(23(29)30)19-12-18(24(25,26)27)9-10-21(19)28-22;24-19-4-2-1-3-16(19)13-5-7-14(8-6-13)21-12-18(22(29)30)17-11-15(23(25,26)27)9-10-20(17)28-21/h2-12H,1H3,(H,30,31);2-13H,1H3,(H,29,30);1-12H,(H,29,30)
InChIKeySJILSLDNTAUFPY-UHFFFAOYSA-N
MW1244.13 g/mol
LogP19.75
Rot. Bonds9

About 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

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 (PubChem CID 160851672) has the molecular formula C71H44F11N3O6 and a molecular weight of 1244.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160851672
Molecular FormulaC71H44F11N3O6
Molecular Weight1244.13 g/mol
Exact Mass1243.31
IUPAC Name2-[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
SMILESCc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1.Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1.O=C(O)c1cc(-c2ccc(-c3ccccc3F)cc2)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H15F4NO2.C24H16F3NO2.C23H13F4NO2/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;1-14-3-2-4-17(11-14)15-5-7-16(8-6-15)22-13-20(23(29)30)19-12-18(24(25,26)27)9-10-21(19)28-22;24-19-4-2-1-3-16(19)13-5-7-14(8-6-13)21-12-18(22(29)30)17-11-15(23(25,26)27)9-10-20(17)28-21/h2-12H,1H3,(H,30,31);2-13H,1H3,(H,29,30);1-12H,(H,29,30)
InChIKeySJILSLDNTAUFPY-UHFFFAOYSA-N
XLogP19.75
TPSA150.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001244.13
LogP ≤ 519.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)cc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1.Cc1cccc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)c1.O=C(O)c1cc(-c2ccc(-c3ccccc3F)cc2)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 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?
The InChIKey is SJILSLDNTAUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4NO2.C24H16F3NO2.C23H13F4NO2/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;1-14-3-2-4-17(11-14)15-5-7-16(8-6-15)22-13-20(23(29)30)19-12-18(24(25,26)27)9-10-21(19)28-22;24-19-4-2-1-3-16(19)13-5-7-14(8-6-13)21-12-18(22(29)30)17-11-15(23(25,26)27)9-10-20(17)28-21/h2-12H,1H3,(H,30,31);2-13H,1H3,(H,29,30);1-12H,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 1244.13 g/mol, XLogP of 19.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 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;2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid;2-[4-(3-methylphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 160851672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).