2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

C19H14F3NO4 — CID 3469599

IUPAC2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)c1
InChIInChI=1S/C19H14F3NO4/c1-26-10-6-7-16(27-2)13(8-10)15-9-12(18(24)25)11-4-3-5-14(17(11)23-15)19(20,21)22/h3-9H,1-2H3,(H,24,25)
InChIKeyYKHBGQCJGGDXKK-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.64
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 3469599) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID3469599
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)c1
InChIInChI=1S/C19H14F3NO4/c1-26-10-6-7-16(27-2)13(8-10)15-9-12(18(24)25)11-4-3-5-14(17(11)23-15)19(20,21)22/h3-9H,1-2H3,(H,24,25)
InChIKeyYKHBGQCJGGDXKK-UHFFFAOYSA-N
XLogP4.64
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxy-2-methylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4041653
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
8-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779499
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(2,5-dimethoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
CID 46779379
2-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4619139
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 42110055
4-methoxy-2-(4-methylphenyl)-8-(trifluoromethyl)quinoline
CID 20711982
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (CID 3469599) is 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is COc1ccc(OC)c(-c2cc(C(=O)O)c3cccc(C(F)(F)F)c3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is YKHBGQCJGGDXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-26-10-6-7-16(27-2)13(8-10)15-9-12(18(24)25)11-4-3-5-14(17(11)23-15)19(20,21)22/h3-9H,1-2H3,(H,24,25).
What are the key properties of 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 377.32 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3469599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).