4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one

C11H11BrN2O2 — CID 107902910

IUPAC4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(Br)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H11BrN2O2/c1-7(12)11(16)14-6-10(15)13-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyVGIBKZNAZPTCTK-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.76
Rot. Bonds1

About 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one

4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 107902910) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID107902910
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(Br)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H11BrN2O2/c1-7(12)11(16)14-6-10(15)13-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,13,15)
InChIKeyVGIBKZNAZPTCTK-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one 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

4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 154861557
4-[(2R)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95299656
4-[(2S)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26630905
4-[(2S)-2-(cyclooctylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8558893
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
4-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 8621573

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one (CID 107902910) is 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one is CC(Br)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is VGIBKZNAZPTCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7(12)11(16)14-6-10(15)13-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,13,15).
What are the key properties of 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one?
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 283.12 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 107902910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).