2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid

C24H16F3NO3 — CID 153380365

IUPAC2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)cc1
InChIInChI=1S/C24H16F3NO3/c1-31-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(29)30)19-12-17(24(25,26)27)8-11-21(19)28-22/h2-13H,1H3,(H,29,30)
InChIKeyUDQYSWADUSUAPT-UHFFFAOYSA-N
MW423.39 g/mol
LogP6.29
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid

2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 153380365) has the molecular formula C24H16F3NO3 and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID153380365
Molecular FormulaC24H16F3NO3
Molecular Weight423.39 g/mol
Exact Mass423.11
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)cc1
InChIInChI=1S/C24H16F3NO3/c1-31-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(29)30)19-12-17(24(25,26)27)8-11-21(19)28-22/h2-13H,1H3,(H,29,30)
InChIKeyUDQYSWADUSUAPT-UHFFFAOYSA-N
XLogP6.29
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.39
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid (CID 153380365) is 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid is COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C(F)(F)F)ccc4n3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is UDQYSWADUSUAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3NO3/c1-31-18-9-6-15(7-10-18)14-2-4-16(5-3-14)22-13-20(23(29)30)19-12-17(24(25,26)27)8-11-21(19)28-22/h2-13H,1H3,(H,29,30).
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid?
2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 423.39 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 153380365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).