1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one

C20H20N4O2 — CID 16623361

IUPAC1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(C)c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O2/c1-14(26-15-8-4-3-5-9-15)20(25)24-13-12-23(2)18-19(24)22-17-11-7-6-10-16(17)21-18/h3-11,14H,12-13H2,1-2H3
InChIKeyJDPJENDAWYOJPZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.88
Rot. Bonds3

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

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one (PubChem CID 16623361) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one
PubChem CID16623361
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCN(C)c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O2/c1-14(26-15-8-4-3-5-9-15)20(25)24-13-12-23(2)18-19(24)22-17-11-7-6-10-16(17)21-18/h3-11,14H,12-13H2,1-2H3
InChIKeyJDPJENDAWYOJPZ-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.88
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)-4-(4-methylphenoxy)butan-1-one
CID 16609575
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(E)-3-(3,5-dimethoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)prop-2-en-1-one
CID 18153290
(4-ethylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16623333
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 16609634
3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one
CID 16623449
2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
CID 16623372
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 18153299
1-(4-methylpiperazin-1-yl)-2-(4-quinoxalin-2-ylphenoxy)propan-1-one
CID 53001293
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one (CID 16623361) is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCN(C)c2nc3ccccc3nc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one?
The InChIKey is JDPJENDAWYOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(26-15-8-4-3-5-9-15)20(25)24-13-12-23(2)18-19(24)22-17-11-7-6-10-16(17)21-18/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one?
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one has a molecular weight of 348.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one is sourced from PubChem (CID 16623361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).