2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone

C14H9BrN2OS — CID 105088874

IUPAC2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccc(Br)s1)c1cccc2nccnc12
InChIInChI=1S/C14H9BrN2OS/c15-13-5-4-9(19-13)8-12(18)10-2-1-3-11-14(10)17-7-6-16-11/h1-7H,8H2
InChIKeyNLAJNWJAVJQASQ-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.88
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone

2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone (PubChem CID 105088874) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
PubChem CID105088874
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC Name2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
SMILESO=C(Cc1ccc(Br)s1)c1cccc2nccnc12
InChIInChI=1S/C14H9BrN2OS/c15-13-5-4-9(19-13)8-12(18)10-2-1-3-11-14(10)17-7-6-16-11/h1-7H,8H2
InChIKeyNLAJNWJAVJQASQ-UHFFFAOYSA-N
XLogP3.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796
2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
CID 113330338
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
CID 105081662
2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105088823
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
CID 105088635
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone (CID 105088874) is 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone is O=C(Cc1ccc(Br)s1)c1cccc2nccnc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone?
The InChIKey is NLAJNWJAVJQASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-13-5-4-9(19-13)8-12(18)10-2-1-3-11-14(10)17-7-6-16-11/h1-7H,8H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone?
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone has a molecular weight of 333.21 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105088874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).