2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one

C15H17BrN4O — CID 108763902

IUPAC2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(Br)C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C15H17BrN4O/c1-11(16)15(21)20-8-6-19(7-9-20)14-10-17-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyZOZOXOWGBLZOHF-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.06
Rot. Bonds2

About 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one

2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 108763902) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID108763902
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(Br)C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C15H17BrN4O/c1-11(16)15(21)20-8-6-19(7-9-20)14-10-17-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyZOZOXOWGBLZOHF-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
CID 108763935
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
2-(4-propan-2-ylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108764012
2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione
CID 108741363
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 108741356
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
(2-methyl-1,3-thiazol-4-yl)-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 138387143
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
(3R)-3-[4-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]butanoic acid
CID 57265869

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one (CID 108763902) is 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one is CC(Br)C(=O)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ZOZOXOWGBLZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-11(16)15(21)20-8-6-19(7-9-20)14-10-17-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one?
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 349.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 108763902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).