2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline

C13H15BrN4 — CID 71662745

IUPAC2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Br)CC1
InChIInChI=1S/C13H15BrN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
InChIKeyJLCMARRHGKISSH-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.14
Rot. Bonds1

About 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline

2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 71662745) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID71662745
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Br)CC1
InChIInChI=1S/C13H15BrN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
InChIKeyJLCMARRHGKISSH-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline (CID 71662745) is 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3ccccc3nc2Br)CC1.
What is the InChIKey of 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is JLCMARRHGKISSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3.
What are the key properties of 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline?
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 307.19 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 71662745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).