2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone

C23H26N4O2 — CID 108763865

IUPAC2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)cc1C
InChIInChI=1S/C23H26N4O2/c1-16-8-9-19(14-17(16)2)29-15-22(28)26-10-12-27(13-11-26)23-18(3)24-20-6-4-5-7-21(20)25-23/h4-9,14H,10-13,15H2,1-3H3
InChIKeyANYXBNSZRPGTBL-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.28
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone

2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone (PubChem CID 108763865) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
PubChem CID108763865
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)cc1C
InChIInChI=1S/C23H26N4O2/c1-16-8-9-19(14-17(16)2)29-15-22(28)26-10-12-27(13-11-26)23-18(3)24-20-6-4-5-7-21(20)25-23/h4-9,14H,10-13,15H2,1-3H3
InChIKeyANYXBNSZRPGTBL-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 108763859
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108568804
2-(3,4-dimethylphenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108535845
2-(3,4-dimethylphenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108755384
1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-2-phenylethanone
CID 108763798
1-(4-methoxyphenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108741298
2-(3,4-dimethylphenoxy)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108753330
2-(3,4-dimethylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825521
2-(3,4-dimethylphenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 26953586
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
1-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867807
benzyl 4-[2-(3,4-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568813

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone (CID 108763865) is 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCN(c3nc4ccccc4nc3C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is ANYXBNSZRPGTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-8-9-19(14-17(16)2)29-15-22(28)26-10-12-27(13-11-26)23-18(3)24-20-6-4-5-7-21(20)25-23/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone?
2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108763865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).