1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

C10H11BrN2O — CID 82380827

IUPAC1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCC(=O)N1CCNc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2O/c1-7(14)13-5-4-12-9-6-8(11)2-3-10(9)13/h2-3,6,12H,4-5H2,1H3
InChIKeyPMHUWIHJFSUQCN-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.23
Rot. Bonds

About 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone

1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (PubChem CID 82380827) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
PubChem CID82380827
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
SMILESCC(=O)N1CCNc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2O/c1-7(14)13-5-4-12-9-6-8(11)2-3-10(9)13/h2-3,6,12H,4-5H2,1H3
InChIKeyPMHUWIHJFSUQCN-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone with MolForge

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Related Compounds

tert-butyl 7-bromo-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84645479
1-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 12858798
3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
CID 91566156
1-(8-bromo-6-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 84643146
7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006931
2-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylethanamine
CID 117031082
4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
CID 117031145
7-bromo-4-(3-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006928
tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84643816
1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82401372
4-acetyl-2,3-dihydro-1H-thieno[2,3-b]pyrazine-6-carboxylic acid
CID 82376637
3-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)-N-methylaniline
CID 117031105

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The IUPAC name of 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone (CID 82380827) is 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The canonical SMILES for 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is CC(=O)N1CCNc2cc(Br)ccc21.
What is the InChIKey of 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
The InChIKey is PMHUWIHJFSUQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-7(14)13-5-4-12-9-6-8(11)2-3-10(9)13/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone?
1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone has a molecular weight of 255.11 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)ethanone is sourced from PubChem (CID 82380827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).