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

C11H13BrN2O — CID 63778569

IUPAC2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCN1CCN(C(=O)CBr)c2ccccc21
InChIInChI=1S/C11H13BrN2O/c1-13-6-7-14(11(15)8-12)10-5-3-2-4-9(10)13/h2-5H,6-8H2,1H3
InChIKeyCOTWEXABJPJIKG-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.86
Rot. Bonds1

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

2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (PubChem CID 63778569) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
PubChem CID63778569
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
SMILESCN1CCN(C(=O)CBr)c2ccccc21
InChIInChI=1S/C11H13BrN2O/c1-13-6-7-14(11(15)8-12)10-5-3-2-4-9(10)13/h2-5H,6-8H2,1H3
InChIKeyCOTWEXABJPJIKG-UHFFFAOYSA-N
XLogP1.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 79192627
2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid
CID 63778022
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 67472733
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107030058
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-piperazin-1-ylethanone
CID 63777523
N-ethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115683493
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
4-methyl-N-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 116656087
4-methyl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110747567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The IUPAC name of 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone (CID 63778569) is 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The canonical SMILES for 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is CN1CCN(C(=O)CBr)c2ccccc21.
What is the InChIKey of 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
The InChIKey is COTWEXABJPJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-13-6-7-14(11(15)8-12)10-5-3-2-4-9(10)13/h2-5H,6-8H2,1H3.
What are the key properties of 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone?
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone has a molecular weight of 269.14 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone is sourced from PubChem (CID 63778569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).