6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid

C22H20FNO4 — CID 166242352

IUPAC6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)ccc2OCC2CCOCC2)cc2cccnc12
InChIInChI=1S/C22H20FNO4/c23-17-3-4-20(28-13-14-5-8-27-9-6-14)18(12-17)16-10-15-2-1-7-24-21(15)19(11-16)22(25)26/h1-4,7,10-12,14H,5-6,8-9,13H2,(H,25,26)
InChIKeyTZSSNAIDUOEHQL-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.54
Rot. Bonds5

About 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid

6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid (PubChem CID 166242352) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid
PubChem CID166242352
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)ccc2OCC2CCOCC2)cc2cccnc12
InChIInChI=1S/C22H20FNO4/c23-17-3-4-20(28-13-14-5-8-27-9-6-14)18(12-17)16-10-15-2-1-7-24-21(15)19(11-16)22(25)26/h1-4,7,10-12,14H,5-6,8-9,13H2,(H,25,26)
InChIKeyTZSSNAIDUOEHQL-UHFFFAOYSA-N
XLogP4.54
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid?
The IUPAC name of 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid (CID 166242352) is 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid.
What is the SMILES notation for 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid?
The canonical SMILES for 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid is O=C(O)c1cc(-c2cc(F)ccc2OCC2CCOCC2)cc2cccnc12.
What is the InChIKey of 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid?
The InChIKey is TZSSNAIDUOEHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c23-17-3-4-20(28-13-14-5-8-27-9-6-14)18(12-17)16-10-15-2-1-7-24-21(15)19(11-16)22(25)26/h1-4,7,10-12,14H,5-6,8-9,13H2,(H,25,26).
What are the key properties of 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid?
6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid has a molecular weight of 381.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-2-(oxan-4-ylmethoxy)phenyl]quinoline-8-carboxylic acid is sourced from PubChem (CID 166242352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).