8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid

C22H15FN2O3 — CID 46225416

IUPAC8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccncc3)cc2)c2c(F)cccc2c1=O
InChIInChI=1S/C22H15FN2O3/c23-19-3-1-2-17-20(19)25(13-18(21(17)26)22(27)28)12-14-4-6-15(7-5-14)16-8-10-24-11-9-16/h1-11,13H,12H2,(H,27,28)
InChIKeyWHXYPCYELUHKII-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.95
Rot. Bonds4

About 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid

8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid (PubChem CID 46225416) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid
PubChem CID46225416
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccncc3)cc2)c2c(F)cccc2c1=O
InChIInChI=1S/C22H15FN2O3/c23-19-3-1-2-17-20(19)25(13-18(21(17)26)22(27)28)12-14-4-6-15(7-5-14)16-8-10-24-11-9-16/h1-11,13H,12H2,(H,27,28)
InChIKeyWHXYPCYELUHKII-UHFFFAOYSA-N
XLogP3.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid (CID 46225416) is 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccncc3)cc2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid?
The InChIKey is WHXYPCYELUHKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-19-3-1-2-17-20(19)25(13-18(21(17)26)22(27)28)12-14-4-6-15(7-5-14)16-8-10-24-11-9-16/h1-11,13H,12H2,(H,27,28).
What are the key properties of 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid?
8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-1-[(4-pyridin-4-ylphenyl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 46225416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).