8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline

C19H21N5O2 — CID 18186924

IUPAC8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
SMILESc1cnc2c(OCCOc3cncc(N4CCNCC4)n3)cccc2c1
InChIInChI=1S/C19H21N5O2/c1-3-15-4-2-6-22-19(15)16(5-1)25-11-12-26-18-14-21-13-17(23-18)24-9-7-20-8-10-24/h1-6,13-14,20H,7-12H2
InChIKeyIWCBSSCFENRTKO-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.89
Rot. Bonds6

About 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline

8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline (PubChem CID 18186924) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline.

Molecular Properties

Compound Name8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
PubChem CID18186924
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
SMILESc1cnc2c(OCCOc3cncc(N4CCNCC4)n3)cccc2c1
InChIInChI=1S/C19H21N5O2/c1-3-15-4-2-6-22-19(15)16(5-1)25-11-12-26-18-14-21-13-17(23-18)24-9-7-20-8-10-24/h1-6,13-14,20H,7-12H2
InChIKeyIWCBSSCFENRTKO-UHFFFAOYSA-N
XLogP1.89
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline 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-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
The IUPAC name of 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline (CID 18186924) is 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline.
What is the SMILES notation for 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
The canonical SMILES for 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline is c1cnc2c(OCCOc3cncc(N4CCNCC4)n3)cccc2c1.
What is the InChIKey of 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
The InChIKey is IWCBSSCFENRTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-15-4-2-6-22-19(15)16(5-1)25-11-12-26-18-14-21-13-17(23-18)24-9-7-20-8-10-24/h1-6,13-14,20H,7-12H2.
What are the key properties of 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline?
8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline has a molecular weight of 351.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline is sourced from PubChem (CID 18186924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).