2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone

C15H10BrN3O — CID 104798917

IUPAC2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1ccc2nccnc2c1
InChIInChI=1S/C15H10BrN3O/c16-12-5-10(8-17-9-12)6-15(20)11-1-2-13-14(7-11)19-4-3-18-13/h1-5,7-9H,6H2
InChIKeyGJQSYONKXHTPGP-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.21
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone

2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone (PubChem CID 104798917) 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-6-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
PubChem CID104798917
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
SMILESO=C(Cc1cncc(Br)c1)c1ccc2nccnc2c1
InChIInChI=1S/C15H10BrN3O/c16-12-5-10(8-17-9-12)6-15(20)11-1-2-13-14(7-11)19-4-3-18-13/h1-5,7-9H,6H2
InChIKeyGJQSYONKXHTPGP-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-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
2-(5-bromo-3-pyridinyl)-1-quinoxalin-2-ylethanone
CID 107356806
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
4,4,4-trifluoro-1-quinoxalin-6-ylbutan-1-one
CID 64567570
2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone
CID 114931324

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone (CID 104798917) is 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone is O=C(Cc1cncc(Br)c1)c1ccc2nccnc2c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone?
The InChIKey is GJQSYONKXHTPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-12-5-10(8-17-9-12)6-15(20)11-1-2-13-14(7-11)19-4-3-18-13/h1-5,7-9H,6H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone?
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-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-6-ylethanone is sourced from PubChem (CID 104798917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).