2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone

C19H17ClN4O2 — CID 16623372

IUPAC2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccccc2Cl)c2nc3ccccc3nc21
InChIInChI=1S/C19H17ClN4O2/c1-23-10-11-24(17(25)12-26-16-9-5-2-6-13(16)20)19-18(23)21-14-7-3-4-8-15(14)22-19/h2-9H,10-12H2,1H3
InChIKeyYKJSWVOTEGSBRT-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone

2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone (PubChem CID 16623372) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
PubChem CID16623372
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
SMILESCN1CCN(C(=O)COc2ccccc2Cl)c2nc3ccccc3nc21
InChIInChI=1S/C19H17ClN4O2/c1-23-10-11-24(17(25)12-26-16-9-5-2-6-13(16)20)19-18(23)21-14-7-3-4-8-15(14)22-19/h2-9H,10-12H2,1H3
InChIKeyYKJSWVOTEGSBRT-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone
CID 18153257
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxyethanone
CID 16623303
1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-(2-methylphenoxy)ethanone
CID 9192957
2-(4-ethylphenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
CID 16623384
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 16623432
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one
CID 16609575
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-phenylpropan-1-one
CID 16623296
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 16609634
2-chloro-N-[3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 16623402
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609536
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone (CID 16623372) is 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone is CN1CCN(C(=O)COc2ccccc2Cl)c2nc3ccccc3nc21.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone?
The InChIKey is YKJSWVOTEGSBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-23-10-11-24(17(25)12-26-16-9-5-2-6-13(16)20)19-18(23)21-14-7-3-4-8-15(14)22-19/h2-9H,10-12H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone?
2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone has a molecular weight of 368.82 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone is sourced from PubChem (CID 16623372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).