2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline

C20H21ClN4O2 — CID 22036291

IUPAC2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
SMILESClc1ccc(OCCOc2nc3ccccc3nc2N2CCNCC2)cc1
InChIInChI=1S/C20H21ClN4O2/c21-15-5-7-16(8-6-15)26-13-14-27-20-19(25-11-9-22-10-12-25)23-17-3-1-2-4-18(17)24-20/h1-8,22H,9-14H2
InChIKeyHWPUOGOFUXGUBF-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.15
Rot. Bonds6

About 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline

2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline (PubChem CID 22036291) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
PubChem CID22036291
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline
SMILESClc1ccc(OCCOc2nc3ccccc3nc2N2CCNCC2)cc1
InChIInChI=1S/C20H21ClN4O2/c21-15-5-7-16(8-6-15)26-13-14-27-20-19(25-11-9-22-10-12-25)23-17-3-1-2-4-18(17)24-20/h1-8,22H,9-14H2
InChIKeyHWPUOGOFUXGUBF-UHFFFAOYSA-N
XLogP3.15
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline?
The IUPAC name of 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline (CID 22036291) is 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline?
The canonical SMILES for 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline is Clc1ccc(OCCOc2nc3ccccc3nc2N2CCNCC2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline?
The InChIKey is HWPUOGOFUXGUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-15-5-7-16(8-6-15)26-13-14-27-20-19(25-11-9-22-10-12-25)23-17-3-1-2-4-18(17)24-20/h1-8,22H,9-14H2.
What are the key properties of 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline?
2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline has a molecular weight of 384.87 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)ethoxy]-3-piperazin-1-ylquinoxaline is sourced from PubChem (CID 22036291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).