6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid

C17H9ClF3NO3 — CID 71817130

IUPAC6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H9ClF3NO3/c18-10-3-6-14-12(7-10)13(16(23)24)8-15(22-14)9-1-4-11(5-2-9)25-17(19,20)21/h1-8H,(H,23,24)
InChIKeyHAONBXMADPYEGS-UHFFFAOYSA-N
MW367.71 g/mol
LogP5.15
Rot. Bonds3

About 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid

6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid (PubChem CID 71817130) has the molecular formula C17H9ClF3NO3 and a molecular weight of 367.71 g/mol. Its IUPAC name is 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
PubChem CID71817130
Molecular FormulaC17H9ClF3NO3
Molecular Weight367.71 g/mol
Exact Mass367.02
IUPAC Name6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H9ClF3NO3/c18-10-3-6-14-12(7-10)13(16(23)24)8-15(22-14)9-1-4-11(5-2-9)25-17(19,20)21/h1-8H,(H,23,24)
InChIKeyHAONBXMADPYEGS-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid (CID 71817130) is 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
The InChIKey is HAONBXMADPYEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3NO3/c18-10-3-6-14-12(7-10)13(16(23)24)8-15(22-14)9-1-4-11(5-2-9)25-17(19,20)21/h1-8H,(H,23,24).
What are the key properties of 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid?
6-chloro-2-[4-(trifluoromethoxy)phenyl]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 6-chloro-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 71817130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).