2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

C17H9ClF3NO3 — CID 3536626

IUPAC2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C17H9ClF3NO3/c18-10-3-1-2-9(6-10)15-8-13(16(23)24)12-7-11(25-17(19,20)21)4-5-14(12)22-15/h1-8H,(H,23,24)
InChIKeyLQFYIDCGYQACIW-UHFFFAOYSA-N
MW367.71 g/mol
LogP5.15
Rot. Bonds3

About 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid

2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (PubChem CID 3536626) has the molecular formula C17H9ClF3NO3 and a molecular weight of 367.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
PubChem CID3536626
Molecular FormulaC17H9ClF3NO3
Molecular Weight367.71 g/mol
Exact Mass367.02
IUPAC Name2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C17H9ClF3NO3/c18-10-3-1-2-9(6-10)15-8-13(16(23)24)12-7-11(25-17(19,20)21)4-5-14(12)22-15/h1-8H,(H,23,24)
InChIKeyLQFYIDCGYQACIW-UHFFFAOYSA-N
XLogP5.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4272780
2-(3,4-dimethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4223701
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 162785666
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
2-(5-methylthiophen-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 3918730
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
2,4-bis[4-(3-chlorophenyl)-2-methyl-6-(trifluoromethoxy)quinolin-3-yl]pentan-3-one
CID 150638011
7-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 4504347
7-(3-chlorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073477
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid (CID 3536626) is 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2)nc2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
The InChIKey is LQFYIDCGYQACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO3/c18-10-3-1-2-9(6-10)15-8-13(16(23)24)12-7-11(25-17(19,20)21)4-5-14(12)22-15/h1-8H,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid?
2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid has a molecular weight of 367.71 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid is sourced from PubChem (CID 3536626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).