2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

C19H14F3NO3 — CID 4303527

IUPAC2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C19H14F3NO3/c1-2-11-3-5-12(6-4-11)17-10-15(18(24)25)14-9-13(26-19(20,21)22)7-8-16(14)23-17/h3-10H,2H2,1H3,(H,24,25)
InChIKeyRHKINDKQLGEYKS-UHFFFAOYSA-N
MW361.32 g/mol
LogP5.06
Rot. Bonds4

About 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (PubChem CID 4303527) has the molecular formula C19H14F3NO3 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
PubChem CID4303527
Molecular FormulaC19H14F3NO3
Molecular Weight361.32 g/mol
Exact Mass361.09
IUPAC Name2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C19H14F3NO3/c1-2-11-3-5-12(6-4-11)17-10-15(18(24)25)14-9-13(26-19(20,21)22)7-8-16(14)23-17/h3-10H,2H2,1H3,(H,24,25)
InChIKeyRHKINDKQLGEYKS-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3536626
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
2-[4-(4-propoxyphenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 153380378
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
6-bromo-2-(4-ethylphenyl)quinoline-4-carbonyl chloride
CID 46779263

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (CID 4303527) is 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c3cc(OC(F)(F)F)ccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The InChIKey is RHKINDKQLGEYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO3/c1-2-11-3-5-12(6-4-11)17-10-15(18(24)25)14-9-13(26-19(20,21)22)7-8-16(14)23-17/h3-10H,2H2,1H3,(H,24,25).
What are the key properties of 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid has a molecular weight of 361.32 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 4303527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).