2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

C19H14F3NO3 — CID 3627145

IUPAC2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)cc1
InChIInChI=1S/C19H14F3NO3/c1-2-26-12-8-6-11(7-9-12)16-10-14(18(24)25)13-4-3-5-15(17(13)23-16)19(20,21)22/h3-10H,2H2,1H3,(H,24,25)
InChIKeyVJHGSOHBWMIEIE-UHFFFAOYSA-N
MW361.32 g/mol
LogP5.02
Rot. Bonds4

About 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 3627145) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID3627145
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)cc1
InChIInChI=1S/C19H14F3NO3/c1-2-26-12-8-6-11(7-9-12)16-10-14(18(24)25)13-4-3-5-15(17(13)23-16)19(20,21)22/h3-10H,2H2,1H3,(H,24,25)
InChIKeyVJHGSOHBWMIEIE-UHFFFAOYSA-N
XLogP5.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123723
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
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CID 71816353
2-(3-Carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid
CID 68234
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
2-Methoxy-4-quinolinecarboxylic acid
CID 1130354
(inverted exclamation markA)-BI-D
CID 71592850
R214127
CID 10470232
(2s)-Tert-Butoxy[4-(8-Fluoro-5-Methyl-3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44198672
(2s)-Tert-Butoxy[4-(3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44199168
US11866436, Example 132
CID 164915166
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (CID 3627145) is 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is VJHGSOHBWMIEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-2-26-12-8-6-11(7-9-12)16-10-14(18(24)25)13-4-3-5-15(17(13)23-16)19(20,21)22/h3-10H,2H2,1H3,(H,24,25).
What are the key properties of 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3627145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).