2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid

C23H14F3NO3 — CID 162785666

IUPAC2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)nc2ccccc12
InChIInChI=1S/C23H14F3NO3/c24-23(25,26)30-17-8-4-6-15(12-17)14-5-3-7-16(11-14)21-13-19(22(28)29)18-9-1-2-10-20(18)27-21/h1-13H,(H,28,29)
InChIKeyPLESBYQWEMVTOO-UHFFFAOYSA-N
MW409.36 g/mol
LogP6.17
Rot. Bonds4

About 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid

2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid (PubChem CID 162785666) has the molecular formula C23H14F3NO3 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
PubChem CID162785666
Molecular FormulaC23H14F3NO3
Molecular Weight409.36 g/mol
Exact Mass409.09
IUPAC Name2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)nc2ccccc12
InChIInChI=1S/C23H14F3NO3/c24-23(25,26)30-17-8-4-6-15(12-17)14-5-3-7-16(11-14)21-13-19(22(28)29)18-9-1-2-10-20(18)27-21/h1-13H,(H,28,29)
InChIKeyPLESBYQWEMVTOO-UHFFFAOYSA-N
XLogP6.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.36
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid (CID 162785666) is 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)nc2ccccc12.
What is the InChIKey of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid?
The InChIKey is PLESBYQWEMVTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO3/c24-23(25,26)30-17-8-4-6-15(12-17)14-5-3-7-16(11-14)21-13-19(22(28)29)18-9-1-2-10-20(18)27-21/h1-13H,(H,28,29).
What are the key properties of 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid?
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid has a molecular weight of 409.36 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 162785666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).