2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone

C15H10BrN3O — CID 107356806

IUPAC2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H10BrN3O/c16-11-5-10(7-17-8-11)6-15(20)14-9-18-12-3-1-2-4-13(12)19-14/h1-5,7-9H,6H2
InChIKeyFJWGYJVFSBSTET-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.21
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone

2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone (PubChem CID 107356806) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone
PubChem CID107356806
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1cnc2ccccc2n1
InChIInChI=1S/C15H10BrN3O/c16-11-5-10(7-17-8-11)6-15(20)14-9-18-12-3-1-2-4-13(12)19-14/h1-5,7-9H,6H2
InChIKeyFJWGYJVFSBSTET-UHFFFAOYSA-N
XLogP3.21
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754739
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346
2-(2,4-dichlorophenyl)-1-quinoxalin-2-ylethanone
CID 107356679
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767
1-quinoxalin-2-ylbutan-1-one
CID 14895791
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(5-bromo-3-pyridinyl)ethanone
CID 116585346
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613356
2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754722
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone (CID 107356806) is 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone is O=C(Cc1cncc(Br)c1)c1cnc2ccccc2n1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone?
The InChIKey is FJWGYJVFSBSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-11-5-10(7-17-8-11)6-15(20)14-9-18-12-3-1-2-4-13(12)19-14/h1-5,7-9H,6H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone?
2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone has a molecular weight of 328.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone is sourced from PubChem (CID 107356806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).