7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline

C15H23BrN4 — CID 117031142

IUPAC7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNCC1CCN1CCNc2cc(Br)ccc21
InChIInChI=1S/C15H23BrN4/c1-19-8-5-17-11-13(19)4-7-20-9-6-18-14-10-12(16)2-3-15(14)20/h2-3,10,13,17-18H,4-9,11H2,1H3
InChIKeyURXRRAFLWMCFBC-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.97
Rot. Bonds3

About 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline

7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline (PubChem CID 117031142) has the molecular formula C15H23BrN4 and a molecular weight of 339.28 g/mol. Its IUPAC name is 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline
PubChem CID117031142
Molecular FormulaC15H23BrN4
Molecular Weight339.28 g/mol
Exact Mass338.11
IUPAC Name7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline
SMILESCN1CCNCC1CCN1CCNc2cc(Br)ccc21
InChIInChI=1S/C15H23BrN4/c1-19-8-5-17-11-13(19)4-7-20-9-6-18-14-10-12(16)2-3-15(14)20/h2-3,10,13,17-18H,4-9,11H2,1H3
InChIKeyURXRRAFLWMCFBC-UHFFFAOYSA-N
XLogP1.97
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline (CID 117031142) is 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline is CN1CCNCC1CCN1CCNc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
The InChIKey is URXRRAFLWMCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4/c1-19-8-5-17-11-13(19)4-7-20-9-6-18-14-10-12(16)2-3-15(14)20/h2-3,10,13,17-18H,4-9,11H2,1H3.
What are the key properties of 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline?
7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline has a molecular weight of 339.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[2-(1-methylpiperazin-2-yl)ethyl]-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117031142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).