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

C22H24N4O2 — CID 53131448

IUPAC1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one
SMILESCc1cccc(CC(=O)N2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-16-6-5-7-17(14-16)15-20(27)25-10-12-26(13-11-25)21-22(28)24(2)19-9-4-3-8-18(19)23-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyPFISDVDAXVKPEQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.13
Rot. Bonds3

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

1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one (PubChem CID 53131448) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one
PubChem CID53131448
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one
SMILESCc1cccc(CC(=O)N2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1
InChIInChI=1S/C22H24N4O2/c1-16-6-5-7-17(14-16)15-20(27)25-10-12-26(13-11-25)21-22(28)24(2)19-9-4-3-8-18(19)23-21/h3-9,14H,10-13,15H2,1-2H3
InChIKeyPFISDVDAXVKPEQ-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-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one (CID 53131448) is 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one is Cc1cccc(CC(=O)N2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1.
What is the InChIKey of 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
The InChIKey is PFISDVDAXVKPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-6-5-7-17(14-16)15-20(27)25-10-12-26(13-11-25)21-22(28)24(2)19-9-4-3-8-18(19)23-21/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one?
1-methyl-3-[4-[2-(3-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-(3-methylphenyl)acetyl]piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 53131448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).