8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one

C15H21N3O — CID 117402589

IUPAC8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(CCN3CCNCC3)c2N1
InChIInChI=1S/C15H21N3O/c19-14-5-4-12-2-1-3-13(15(12)17-14)6-9-18-10-7-16-8-11-18/h1-3,16H,4-11H2,(H,17,19)
InChIKeyIPJALZNLYJBRTB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.02
Rot. Bonds3

About 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one

8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117402589) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID117402589
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(CCN3CCNCC3)c2N1
InChIInChI=1S/C15H21N3O/c19-14-5-4-12-2-1-3-13(15(12)17-14)6-9-18-10-7-16-8-11-18/h1-3,16H,4-11H2,(H,17,19)
InChIKeyIPJALZNLYJBRTB-UHFFFAOYSA-N
XLogP1.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-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-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one (CID 117402589) is 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(CCN3CCNCC3)c2N1.
What is the InChIKey of 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IPJALZNLYJBRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-14-5-4-12-2-1-3-13(15(12)17-14)6-9-18-10-7-16-8-11-18/h1-3,16H,4-11H2,(H,17,19).
What are the key properties of 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one?
8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117402589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).