8-fluoro-1-pyrrolidin-3-ylquinolin-2-one

C13H13FN2O — CID 54248728

IUPAC8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
SMILESO=c1ccc2cccc(F)c2n1C1CCNC1
InChIInChI=1S/C13H13FN2O/c14-11-3-1-2-9-4-5-12(17)16(13(9)11)10-6-7-15-8-10/h1-5,10,15H,6-8H2
InChIKeyQVEVVOQDVQHWHI-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.67
Rot. Bonds1

About 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one

8-fluoro-1-pyrrolidin-3-ylquinolin-2-one (PubChem CID 54248728) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one.

Molecular Properties

Compound Name8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
PubChem CID54248728
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
SMILESO=c1ccc2cccc(F)c2n1C1CCNC1
InChIInChI=1S/C13H13FN2O/c14-11-3-1-2-9-4-5-12(17)16(13(9)11)10-6-7-15-8-10/h1-5,10,15H,6-8H2
InChIKeyQVEVVOQDVQHWHI-UHFFFAOYSA-N
XLogP1.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one?
The IUPAC name of 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one (CID 54248728) is 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one.
What is the SMILES notation for 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one?
The canonical SMILES for 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one is O=c1ccc2cccc(F)c2n1C1CCNC1.
What is the InChIKey of 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one?
The InChIKey is QVEVVOQDVQHWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-3-1-2-9-4-5-12(17)16(13(9)11)10-6-7-15-8-10/h1-5,10,15H,6-8H2.
What are the key properties of 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one?
8-fluoro-1-pyrrolidin-3-ylquinolin-2-one has a molecular weight of 232.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-pyrrolidin-3-ylquinolin-2-one is sourced from PubChem (CID 54248728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).