1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one

C22H24N4O2 — CID 53131467

IUPAC1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one
SMILESCc1ccccc1CC(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C22H24N4O2/c1-16-7-3-4-8-17(16)15-20(27)25-11-13-26(14-12-25)21-22(28)24(2)19-10-6-5-9-18(19)23-21/h3-10H,11-15H2,1-2H3
InChIKeyWTDSXDGETORPSF-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.13
Rot. Bonds3

About 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one

1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one (PubChem CID 53131467) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one
PubChem CID53131467
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one
SMILESCc1ccccc1CC(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1
InChIInChI=1S/C22H24N4O2/c1-16-7-3-4-8-17(16)15-20(27)25-11-13-26(14-12-25)21-22(28)24(2)19-10-6-5-9-18(19)23-21/h3-10H,11-15H2,1-2H3
InChIKeyWTDSXDGETORPSF-UHFFFAOYSA-N
XLogP2.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one (CID 53131467) is 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one is Cc1ccccc1CC(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1.
What is the InChIKey of 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
The InChIKey is WTDSXDGETORPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-3-4-8-17(16)15-20(27)25-11-13-26(14-12-25)21-22(28)24(2)19-10-6-5-9-18(19)23-21/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 53131467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).