4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

C16H13BrN2O3 — CID 2787080

IUPAC4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C16H13BrN2O3/c17-11-5-7-12(8-6-11)22-10-16(21)19-9-15(20)18-13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,18,20)
InChIKeyIBAQLGBKIFMZTK-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.81
Rot. Bonds3

About 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2787080) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2787080
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccc(Br)cc2)c2ccccc2N1
InChIInChI=1S/C16H13BrN2O3/c17-11-5-7-12(8-6-11)22-10-16(21)19-9-15(20)18-13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,18,20)
InChIKeyIBAQLGBKIFMZTK-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-bromophenoxy)acetyl]-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

2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
4-[2-(2-methoxyphenoxy)butanoyl]-3,4-dihydroquinoxalin-2(1H)-one
CID 6473615
4-(2-p-Tolyloxy-propionyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 6499037
4-[2-(2,3,5,6-Tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 24816947
4-(phenoxyacetyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 6459573
Paraxazone
CID 3047812
2-(2-Ethyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(2-methoxy-phenyl)-acetamide
CID 653285
2-(4-bromophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979201
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 1017652
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 1253482
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-phenoxybutanoate
CID 2540712
2-(2-bromo-4-fluorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2627522

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (CID 2787080) is 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)COc2ccc(Br)cc2)c2ccccc2N1.
What is the InChIKey of 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is IBAQLGBKIFMZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c17-11-5-7-12(8-6-11)22-10-16(21)19-9-15(20)18-13-3-1-2-4-14(13)19/h1-8H,9-10H2,(H,18,20).
What are the key properties of 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 361.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2787080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).