8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid

C17H19FN2O3 — CID 94947485

IUPAC8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(ccc(=O)n2CCN2CCCCC2)c1
InChIInChI=1S/C17H19FN2O3/c18-14-11-13(17(22)23)10-12-4-5-15(21)20(16(12)14)9-8-19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,22,23)
InChIKeyCWKRYVCMKYICFI-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.32
Rot. Bonds4

About 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid

8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid (PubChem CID 94947485) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
PubChem CID94947485
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(ccc(=O)n2CCN2CCCCC2)c1
InChIInChI=1S/C17H19FN2O3/c18-14-11-13(17(22)23)10-12-4-5-15(21)20(16(12)14)9-8-19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,22,23)
InChIKeyCWKRYVCMKYICFI-UHFFFAOYSA-N
XLogP2.32
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
The IUPAC name of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid (CID 94947485) is 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
The canonical SMILES for 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid is O=C(O)c1cc(F)c2c(ccc(=O)n2CCN2CCCCC2)c1.
What is the InChIKey of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
The InChIKey is CWKRYVCMKYICFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c18-14-11-13(17(22)23)10-12-4-5-15(21)20(16(12)14)9-8-19-6-2-1-3-7-19/h4-5,10-11H,1-3,6-9H2,(H,22,23).
What are the key properties of 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid?
8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-oxo-1-(2-piperidin-1-ylethyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 94947485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).