8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

C19H14F3NO2 — CID 3928035

IUPAC8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H14F3NO2/c1-2-11-5-4-8-14-15(18(24)25)10-16(23-17(11)14)12-6-3-7-13(9-12)19(20,21)22/h3-10H,2H2,1H3,(H,24,25)
InChIKeyAIULODXJNRZVLE-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.18
Rot. Bonds3

About 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 3928035) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
PubChem CID3928035
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCCc1cccc2c(C(=O)O)cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H14F3NO2/c1-2-11-5-4-8-14-15(18(24)25)10-16(23-17(11)14)12-6-3-7-13(9-12)19(20,21)22/h3-10H,2H2,1H3,(H,24,25)
InChIKeyAIULODXJNRZVLE-UHFFFAOYSA-N
XLogP5.18
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
ethyl 6,8-dichloro-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 631054
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 133089636
methylsulfonyl 2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 123253301
2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
CID 4985765
8-ethyl-2-phenylquinolin-4-amine
CID 55045650
8-hydroxy-2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
CID 91190343
8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 4261180
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (CID 3928035) is 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is CCc1cccc2c(C(=O)O)cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is AIULODXJNRZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-2-11-5-4-8-14-15(18(24)25)10-16(23-17(11)14)12-6-3-7-13(9-12)19(20,21)22/h3-10H,2H2,1H3,(H,24,25).
What are the key properties of 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid has a molecular weight of 345.32 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 3928035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).