2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide

C26H21F3N2O2 — CID 46098385

IUPAC2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3ccccc3C(F)(F)F)c3ccccc3n2)cc1
InChIInChI=1S/C26H21F3N2O2/c1-2-33-19-13-11-17(12-14-19)24-15-21(20-8-4-6-10-23(20)31-24)25(32)30-16-18-7-3-5-9-22(18)26(27,28)29/h3-15H,2,16H2,1H3,(H,30,32)
InChIKeyQYSDFIRWCCKKTQ-UHFFFAOYSA-N
MW450.46 g/mol
LogP6.25
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide

2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (PubChem CID 46098385) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
PubChem CID46098385
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCc3ccccc3C(F)(F)F)c3ccccc3n2)cc1
InChIInChI=1S/C26H21F3N2O2/c1-2-33-19-13-11-17(12-14-19)24-15-21(20-8-4-6-10-23(20)31-24)25(32)30-16-18-7-3-5-9-22(18)26(27,28)29/h3-15H,2,16H2,1H3,(H,30,32)
InChIKeyQYSDFIRWCCKKTQ-UHFFFAOYSA-N
XLogP6.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (CID 46098385) is 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCc3ccccc3C(F)(F)F)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is QYSDFIRWCCKKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c1-2-33-19-13-11-17(12-14-19)24-15-21(20-8-4-6-10-23(20)31-24)25(32)30-16-18-7-3-5-9-22(18)26(27,28)29/h3-15H,2,16H2,1H3,(H,30,32).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46098385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).