1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

C23H26N4O2 — CID 16623432

IUPAC1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(C)C)cc1OCC(=O)N1CCN(C)c2nc3ccccc3nc21
InChIInChI=1S/C23H26N4O2/c1-15(2)17-10-9-16(3)20(13-17)29-14-21(28)27-12-11-26(4)22-23(27)25-19-8-6-5-7-18(19)24-22/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyCRDVAHJGHFMZLQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.92
Rot. Bonds4

About 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (PubChem CID 16623432) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
PubChem CID16623432
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCc1ccc(C(C)C)cc1OCC(=O)N1CCN(C)c2nc3ccccc3nc21
InChIInChI=1S/C23H26N4O2/c1-15(2)17-10-9-16(3)20(13-17)29-14-21(28)27-12-11-26(4)22-23(27)25-19-8-6-5-7-18(19)24-22/h5-10,13,15H,11-12,14H2,1-4H3
InChIKeyCRDVAHJGHFMZLQ-UHFFFAOYSA-N
XLogP3.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-(2-methylphenoxy)ethanone
CID 9192957
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-phenoxyethanone
CID 16623303
2-(4-ethylphenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
CID 16623384
(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 30372626
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one
CID 16609575
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 25405327
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-phenylpropan-1-one
CID 16623296
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 16609634
1-(2-fluorophenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 60623516
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone (CID 16623432) is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone is Cc1ccc(C(C)C)cc1OCC(=O)N1CCN(C)c2nc3ccccc3nc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
The InChIKey is CRDVAHJGHFMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)17-10-9-16(3)20(13-17)29-14-21(28)27-12-11-26(4)22-23(27)25-19-8-6-5-7-18(19)24-22/h5-10,13,15H,11-12,14H2,1-4H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone?
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone has a molecular weight of 390.49 g/mol, XLogP of 3.92, 4 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-(2-methyl-5-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 16623432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).