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

C22H24N4O2 — CID 16609575

IUPAC1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one
SMILESCc1ccc(OCCCC(=O)N2CCN(C)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H24N4O2/c1-16-9-11-17(12-10-16)28-15-5-8-20(27)26-14-13-25(2)21-22(26)24-19-7-4-3-6-18(19)23-21/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3
InChIKeyVDUUZJLXFBERHP-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds5

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

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one (PubChem CID 16609575) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one
PubChem CID16609575
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one
SMILESCc1ccc(OCCCC(=O)N2CCN(C)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H24N4O2/c1-16-9-11-17(12-10-16)28-15-5-8-20(27)26-14-13-25(2)21-22(26)24-19-7-4-3-6-18(19)23-21/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3
InChIKeyVDUUZJLXFBERHP-UHFFFAOYSA-N
XLogP3.58
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one with MolForge

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Related Compounds

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxyethanone
CID 16623303
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)-3-phenylpropan-1-one
CID 16623296
2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
CID 16623372
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 16609634
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 16623432
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 29360167
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 18153299
2-ethyl-1-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-yl]butan-1-one
CID 108536117
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone
CID 16623282
1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536250

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one (CID 16609575) is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one is Cc1ccc(OCCCC(=O)N2CCN(C)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one?
The InChIKey is VDUUZJLXFBERHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-9-11-17(12-10-16)28-15-5-8-20(27)26-14-13-25(2)21-22(26)24-19-7-4-3-6-18(19)23-21/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one?
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one has a molecular weight of 376.46 g/mol, XLogP of 3.58, 5 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)-4-(4-methylphenoxy)butan-1-one is sourced from PubChem (CID 16609575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).