5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline

C18H20N6O2 — CID 22036271

IUPAC5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline
SMILESc1cc(OCCOc2nccnc2N2CCNCC2)c2nccnc2c1
InChIInChI=1S/C18H20N6O2/c1-2-14-16(21-5-4-20-14)15(3-1)25-12-13-26-18-17(22-6-7-23-18)24-10-8-19-9-11-24/h1-7,19H,8-13H2
InChIKeyYNBQCDBLOIDHFF-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.29
Rot. Bonds6

About 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline

5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline (PubChem CID 22036271) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline.

Molecular Properties

Compound Name5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline
PubChem CID22036271
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline
SMILESc1cc(OCCOc2nccnc2N2CCNCC2)c2nccnc2c1
InChIInChI=1S/C18H20N6O2/c1-2-14-16(21-5-4-20-14)15(3-1)25-12-13-26-18-17(22-6-7-23-18)24-10-8-19-9-11-24/h1-7,19H,8-13H2
InChIKeyYNBQCDBLOIDHFF-UHFFFAOYSA-N
XLogP1.29
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036264
7-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1H-indole
CID 22036358
2-[2-[(2-methylsulfanyl-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
CID 22036488
2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
CID 22036368
5-nitro-8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 22036476
N-phenyl-3-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]aniline
CID 22036521
(E)-but-2-enedioic acid;4-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-1,3-benzoxazol-2-amine
CID 22036400
8-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]-4H-1,4-benzoxazin-3-one
CID 22036369
2-piperazin-1-yl-3-(2-thiophen-3-yloxyethoxy)pyrazine
CID 22036428
2-[2-[(6-chloro-3-pyridinyl)oxy]ethoxy]-3-piperazin-1-ylpyrazine
CID 22036286
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
8-[2-(6-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoline
CID 18186924

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline?
The IUPAC name of 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline (CID 22036271) is 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline.
What is the SMILES notation for 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline?
The canonical SMILES for 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline is c1cc(OCCOc2nccnc2N2CCNCC2)c2nccnc2c1.
What is the InChIKey of 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline?
The InChIKey is YNBQCDBLOIDHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-2-14-16(21-5-4-20-14)15(3-1)25-12-13-26-18-17(22-6-7-23-18)24-10-8-19-9-11-24/h1-7,19H,8-13H2.
What are the key properties of 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline?
5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline has a molecular weight of 352.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]quinoxaline is sourced from PubChem (CID 22036271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).