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

C17H9ClF3NO2 — CID 3991118

IUPAC2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H9ClF3NO2/c18-13-7-2-1-4-10(13)14-8-11(16(23)24)9-5-3-6-12(15(9)22-14)17(19,20)21/h1-8H,(H,23,24)
InChIKeySXHREIMAVCDCDA-UHFFFAOYSA-N
MW351.71 g/mol
LogP5.27
Rot. Bonds2

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

2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (PubChem CID 3991118) has the molecular formula C17H9ClF3NO2 and a molecular weight of 351.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
PubChem CID3991118
Molecular FormulaC17H9ClF3NO2
Molecular Weight351.71 g/mol
Exact Mass351.03
IUPAC Name2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2Cl)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C17H9ClF3NO2/c18-13-7-2-1-4-10(13)14-8-11(16(23)24)9-5-3-6-12(15(9)22-14)17(19,20)21/h1-8H,(H,23,24)
InChIKeySXHREIMAVCDCDA-UHFFFAOYSA-N
XLogP5.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.71
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-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)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
2-(5-chloro-1-benzofuran-2-yl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 4039688
2-(2-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid
CID 3357522
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220619
[2-(2-chlorophenyl)-8-methylquinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2220935
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
6-ethoxy-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 4021032
6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 633518
7-acetamido-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073617
2-chloro-5-(trifluoromethyl)quinoline-3-carboxylic acid
CID 87479875

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid (CID 3991118) is 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2Cl)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
The InChIKey is SXHREIMAVCDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO2/c18-13-7-2-1-4-10(13)14-8-11(16(23)24)9-5-3-6-12(15(9)22-14)17(19,20)21/h1-8H,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid?
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid has a molecular weight of 351.71 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3991118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).