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

C22H15FN2O3 — CID 24963516

IUPAC5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C22H15FN2O3/c23-18-4-1-5-19-20(18)21(26)17(22(27)28)13-25(19)12-14-6-8-15(9-7-14)16-3-2-10-24-11-16/h1-11,13H,12H2,(H,27,28)
InChIKeyRWAHKTYMXPBNIM-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.95
Rot. Bonds4

About 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid

5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid (PubChem CID 24963516) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid
PubChem CID24963516
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2cccc(F)c2c1=O
InChIInChI=1S/C22H15FN2O3/c23-18-4-1-5-19-20(18)21(26)17(22(27)28)13-25(19)12-14-6-8-15(9-7-14)16-3-2-10-24-11-16/h1-11,13H,12H2,(H,27,28)
InChIKeyRWAHKTYMXPBNIM-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 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid (CID 24963516) is 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3cccnc3)cc2)c2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid?
The InChIKey is RWAHKTYMXPBNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-18-4-1-5-19-20(18)21(26)17(22(27)28)13-25(19)12-14-6-8-15(9-7-14)16-3-2-10-24-11-16/h1-11,13H,12H2,(H,27,28).
What are the key properties of 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid?
5-fluoro-4-oxo-1-[(4-pyridin-3-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 5-fluoro-4-oxo-1-[(4-pyridin-3-ylphenyl)methyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 24963516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).