(8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate

C16H17FN2O3 — CID 68828457

IUPAC(8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate
SMILESCC(=O)On1c(=O)c(C2CCNCC2)cc2cccc(F)c21
InChIInChI=1S/C16H17FN2O3/c1-10(20)22-19-15-12(3-2-4-14(15)17)9-13(16(19)21)11-5-7-18-8-6-11/h2-4,9,11,18H,5-8H2,1H3
InChIKeyCRFYSWYKBSAULO-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.58
Rot. Bonds2

About (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate

(8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate (PubChem CID 68828457) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate.

Molecular Properties

Compound Name(8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate
PubChem CID68828457
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name(8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate
SMILESCC(=O)On1c(=O)c(C2CCNCC2)cc2cccc(F)c21
InChIInChI=1S/C16H17FN2O3/c1-10(20)22-19-15-12(3-2-4-14(15)17)9-13(16(19)21)11-5-7-18-8-6-11/h2-4,9,11,18H,5-8H2,1H3
InChIKeyCRFYSWYKBSAULO-UHFFFAOYSA-N
XLogP1.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate?
The IUPAC name of (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate (CID 68828457) is (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate.
What is the SMILES notation for (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate?
The canonical SMILES for (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate is CC(=O)On1c(=O)c(C2CCNCC2)cc2cccc(F)c21.
What is the InChIKey of (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate?
The InChIKey is CRFYSWYKBSAULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-10(20)22-19-15-12(3-2-4-14(15)17)9-13(16(19)21)11-5-7-18-8-6-11/h2-4,9,11,18H,5-8H2,1H3.
What are the key properties of (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate?
(8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate has a molecular weight of 304.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-2-oxo-3-piperidin-4-ylquinolin-1-yl) acetate is sourced from PubChem (CID 68828457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).