8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid

C22H14F2N2O3 — CID 46224982

IUPAC8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(F)cccc2c1=O
InChIInChI=1S/C22H14F2N2O3/c23-15-7-4-13(5-8-15)14-6-9-16(25-10-14)11-26-12-18(22(28)29)21(27)17-2-1-3-19(24)20(17)26/h1-10,12H,11H2,(H,28,29)
InChIKeyADWFNKOMLGVVTI-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.09
Rot. Bonds4

About 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid

8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 46224982) has the molecular formula C22H14F2N2O3 and a molecular weight of 392.36 g/mol. Its IUPAC name is 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID46224982
Molecular FormulaC22H14F2N2O3
Molecular Weight392.36 g/mol
Exact Mass392.10
IUPAC Name8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(F)cccc2c1=O
InChIInChI=1S/C22H14F2N2O3/c23-15-7-4-13(5-8-15)14-6-9-16(25-10-14)11-26-12-18(22(28)29)21(27)17-2-1-3-19(24)20(17)26/h1-10,12H,11H2,(H,28,29)
InChIKeyADWFNKOMLGVVTI-UHFFFAOYSA-N
XLogP4.09
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid (CID 46224982) is 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ADWFNKOMLGVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O3/c23-15-7-4-13(5-8-15)14-6-9-16(25-10-14)11-26-12-18(22(28)29)21(27)17-2-1-3-19(24)20(17)26/h1-10,12H,11H2,(H,28,29).
What are the key properties of 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid?
8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 392.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[[5-(4-fluorophenyl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 46224982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).