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

C15H10BrN3O — CID 105128928

IUPAC2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1cccc2nccnc12
InChIInChI=1S/C15H10BrN3O/c16-11-6-10(8-17-9-11)7-14(20)12-2-1-3-13-15(12)19-5-4-18-13/h1-6,8-9H,7H2
InChIKeyVOEVTDWVPZMYSS-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.21
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone (PubChem CID 105128928) 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-5-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
PubChem CID105128928
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1cccc2nccnc12
InChIInChI=1S/C15H10BrN3O/c16-11-6-10(8-17-9-11)7-14(20)12-2-1-3-13-15(12)19-5-4-18-13/h1-6,8-9H,7H2
InChIKeyVOEVTDWVPZMYSS-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

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Related Compounds

2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
CID 105088635
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone
CID 107356806
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105128880
2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613356
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone (CID 105128928) is 2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone is O=C(Cc1cncc(Br)c1)c1cccc2nccnc12.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone?
The InChIKey is VOEVTDWVPZMYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-11-6-10(8-17-9-11)7-14(20)12-2-1-3-13-15(12)19-5-4-18-13/h1-6,8-9H,7H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone?
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-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-5-ylethanone is sourced from PubChem (CID 105128928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).