1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone

C17H17BrN2O — CID 63777499

IUPAC1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C17H17BrN2O/c1-19-9-10-20(16-8-3-2-7-15(16)19)12-17(21)13-5-4-6-14(18)11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyDIPCAONQDQNNPZ-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone

1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (PubChem CID 63777499) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
PubChem CID63777499
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C17H17BrN2O/c1-19-9-10-20(16-8-3-2-7-15(16)19)12-17(21)13-5-4-6-14(18)11-13/h2-8,11H,9-10,12H2,1H3
InChIKeyDIPCAONQDQNNPZ-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018803
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
1-(3-bromophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
CID 91622717
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
CID 63778575
N-[3-[2-(3-bromophenyl)-2-oxoethyl]-1,3-thiazolidin-2-ylidene]acetamide;hydrochloride
CID 159374778
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
2-(benzotriazol-2-yl)-1-(3-bromophenyl)ethanone
CID 178069287
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61215953
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750805

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (CID 63777499) is 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is CN1CCN(CC(=O)c2cccc(Br)c2)c2ccccc21.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is DIPCAONQDQNNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-19-9-10-20(16-8-3-2-7-15(16)19)12-17(21)13-5-4-6-14(18)11-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 345.24 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 63777499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).