2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone

C18H16N2O — CID 105081662

IUPAC2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
SMILESCc1ccc(C)c(CC(=O)c2cccc3nccnc23)c1
InChIInChI=1S/C18H16N2O/c1-12-6-7-13(2)14(10-12)11-17(21)15-4-3-5-16-18(15)20-9-8-19-16/h3-10H,11H2,1-2H3
InChIKeyQMJMQAYVBQSMOP-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.67
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone

2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone (PubChem CID 105081662) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
PubChem CID105081662
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone
SMILESCc1ccc(C)c(CC(=O)c2cccc3nccnc23)c1
InChIInChI=1S/C18H16N2O/c1-12-6-7-13(2)14(10-12)11-17(21)15-4-3-5-16-18(15)20-9-8-19-16/h3-10H,11H2,1-2H3
InChIKeyQMJMQAYVBQSMOP-UHFFFAOYSA-N
XLogP3.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
2-(3-methoxyphenyl)-1-quinoxalin-5-ylethanone
CID 105088635
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
N-(2-hydroxy-4-methylphenyl)quinoxaline-5-carboxamide
CID 136756008
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
2-(5-bromo-2-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128796
2-(5-bromothiophen-2-yl)-1-quinoxalin-5-ylethanone
CID 105088874
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
2-(2,5-dimethylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105081631

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone (CID 105081662) is 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone is Cc1ccc(C)c(CC(=O)c2cccc3nccnc23)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone?
The InChIKey is QMJMQAYVBQSMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12-6-7-13(2)14(10-12)11-17(21)15-4-3-5-16-18(15)20-9-8-19-16/h3-10H,11H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone?
2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105081662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).