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

C21H22N4O2 — CID 16623449

IUPAC3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C)c2nc3ccccc3nc21
InChIInChI=1S/C21H22N4O2/c1-24-13-14-25(19(26)12-11-15-7-3-6-10-18(15)27-2)21-20(24)22-16-8-4-5-9-17(16)23-21/h3-10H,11-14H2,1-2H3
InChIKeyPLIMUHWPHPZMNY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.05
Rot. Bonds4

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

3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one (PubChem CID 16623449) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one
PubChem CID16623449
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCN(C)c2nc3ccccc3nc21
InChIInChI=1S/C21H22N4O2/c1-24-13-14-25(19(26)12-11-15-7-3-6-10-18(15)27-2)21-20(24)22-16-8-4-5-9-17(16)23-21/h3-10H,11-14H2,1-2H3
InChIKeyPLIMUHWPHPZMNY-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)-4-(4-methylphenoxy)butan-1-one
CID 16609575
(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 30372626
3-(2-methoxyphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 110361480
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-(benzotriazol-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 58271079
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 16623351
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24590248
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one (CID 16623449) is 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one is COc1ccccc1CCC(=O)N1CCN(C)c2nc3ccccc3nc21.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one?
The InChIKey is PLIMUHWPHPZMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-13-14-25(19(26)12-11-15-7-3-6-10-18(15)27-2)21-20(24)22-16-8-4-5-9-17(16)23-21/h3-10H,11-14H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one?
3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one has a molecular weight of 362.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one is sourced from PubChem (CID 16623449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).