N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C20H18BrN3O4 — CID 55890335

IUPACN-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(=O)cnc2ccccc21)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C20H18BrN3O4/c1-12(13-8-17-18(9-14(13)21)28-7-6-27-17)23-19(25)11-24-16-5-3-2-4-15(16)22-10-20(24)26/h2-5,8-10,12H,6-7,11H2,1H3,(H,23,25)
InChIKeyKWQOOVFTHRSFQF-UHFFFAOYSA-N
MW444.29 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 55890335) has the molecular formula C20H18BrN3O4 and a molecular weight of 444.29 g/mol. Its IUPAC name is N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID55890335
Molecular FormulaC20H18BrN3O4
Molecular Weight444.29 g/mol
Exact Mass443.05
IUPAC NameN-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCC(NC(=O)Cn1c(=O)cnc2ccccc21)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C20H18BrN3O4/c1-12(13-8-17-18(9-14(13)21)28-7-6-27-17)23-19(25)11-24-16-5-3-2-4-15(16)22-10-20(24)26/h2-5,8-10,12H,6-7,11H2,1H3,(H,23,25)
InChIKeyKWQOOVFTHRSFQF-UHFFFAOYSA-N
XLogP2.81
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide with MolForge

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16548369
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55889314
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 26371826
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
CID 78812383
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 55946252
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41256051
N-[(1R)-1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 1008392
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
N-[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethyl]propanamide
CID 4280356

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 55890335) is N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is CC(NC(=O)Cn1c(=O)cnc2ccccc21)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is KWQOOVFTHRSFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4/c1-12(13-8-17-18(9-14(13)21)28-7-6-27-17)23-19(25)11-24-16-5-3-2-4-15(16)22-10-20(24)26/h2-5,8-10,12H,6-7,11H2,1H3,(H,23,25).
What are the key properties of N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 444.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 55890335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).