2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

C25H19F3N2O — CID 141120001

IUPAC2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCc1ccc(-c2nc3c(C(F)(F)F)cccc3c(-c3ccccc3)c2C(N)=O)cc1
InChIInChI=1S/C25H19F3N2O/c1-2-15-11-13-17(14-12-15)22-21(24(29)31)20(16-7-4-3-5-8-16)18-9-6-10-19(23(18)30-22)25(26,27)28/h3-14H,2H2,1H3,(H2,29,31)
InChIKeyGWSPTPBUSWNPIM-UHFFFAOYSA-N
MW420.43 g/mol
LogP6.25
Rot. Bonds4

About 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 141120001) has the molecular formula C25H19F3N2O and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID141120001
Molecular FormulaC25H19F3N2O
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCc1ccc(-c2nc3c(C(F)(F)F)cccc3c(-c3ccccc3)c2C(N)=O)cc1
InChIInChI=1S/C25H19F3N2O/c1-2-15-11-13-17(14-12-15)22-21(24(29)31)20(16-7-4-3-5-8-16)18-9-6-10-19(23(18)30-22)25(26,27)28/h3-14H,2H2,1H3,(H2,29,31)
InChIKeyGWSPTPBUSWNPIM-UHFFFAOYSA-N
XLogP6.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (CID 141120001) is 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is CCc1ccc(-c2nc3c(C(F)(F)F)cccc3c(-c3ccccc3)c2C(N)=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is GWSPTPBUSWNPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O/c1-2-15-11-13-17(14-12-15)22-21(24(29)31)20(16-7-4-3-5-8-16)18-9-6-10-19(23(18)30-22)25(26,27)28/h3-14H,2H2,1H3,(H2,29,31).
What are the key properties of 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 141120001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).