6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid

C18H14FNO3 — CID 91237963

IUPAC6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(OCC(F)c3ccccc3)ccc2n1
InChIInChI=1S/C18H14FNO3/c19-15(12-4-2-1-3-5-12)11-23-14-7-9-16-13(10-14)6-8-17(20-16)18(21)22/h1-10,15H,11H2,(H,21,22)
InChIKeyHZMCTZFIXMWSPW-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.02
Rot. Bonds5

About 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid

6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid (PubChem CID 91237963) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid
PubChem CID91237963
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(OCC(F)c3ccccc3)ccc2n1
InChIInChI=1S/C18H14FNO3/c19-15(12-4-2-1-3-5-12)11-23-14-7-9-16-13(10-14)6-8-17(20-16)18(21)22/h1-10,15H,11H2,(H,21,22)
InChIKeyHZMCTZFIXMWSPW-UHFFFAOYSA-N
XLogP4.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid?
The IUPAC name of 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid (CID 91237963) is 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid is O=C(O)c1ccc2cc(OCC(F)c3ccccc3)ccc2n1.
What is the InChIKey of 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid?
The InChIKey is HZMCTZFIXMWSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-15(12-4-2-1-3-5-12)11-23-14-7-9-16-13(10-14)6-8-17(20-16)18(21)22/h1-10,15H,11H2,(H,21,22).
What are the key properties of 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid?
6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-2-phenylethoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 91237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).