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

C19H14F3NO3 — CID 4021032

IUPAC6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCCOc1ccc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O)c2c1
InChIInChI=1S/C19H14F3NO3/c1-2-26-11-7-8-16-13(9-11)14(18(24)25)10-17(23-16)12-5-3-4-6-15(12)19(20,21)22/h3-10H,2H2,1H3,(H,24,25)
InChIKeyKUQVLBDCLRJKBC-UHFFFAOYSA-N
MW361.32 g/mol
LogP5.02
Rot. Bonds4

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

6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (PubChem CID 4021032) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
PubChem CID4021032
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
SMILESCCOc1ccc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O)c2c1
InChIInChI=1S/C19H14F3NO3/c1-2-26-11-7-8-16-13(9-11)14(18(24)25)10-17(23-16)12-5-3-4-6-15(12)19(20,21)22/h3-10H,2H2,1H3,(H,24,25)
InChIKeyKUQVLBDCLRJKBC-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

6-(diethylsulfamoyl)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 5179374
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3507309
2-[4-(3-ethoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380369
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid (CID 4021032) is 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is CCOc1ccc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)O)c2c1.
What is the InChIKey of 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
The InChIKey is KUQVLBDCLRJKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-2-26-11-7-8-16-13(9-11)14(18(24)25)10-17(23-16)12-5-3-4-6-15(12)19(20,21)22/h3-10H,2H2,1H3,(H,24,25).
What are the key properties of 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid?
6-ethoxy-2-[2-(trifluoromethyl)phenyl]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 6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 4021032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).