1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one

C20H20N4O2 — CID 46365024

IUPAC1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
SMILESCn1c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H20N4O2/c1-22-17-10-6-5-9-16(17)21-18(19(22)25)20(26)24-13-11-23(12-14-24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyKDBIPETZUSWQOR-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.90
Rot. Bonds2

About 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one

1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one (PubChem CID 46365024) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
PubChem CID46365024
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
SMILESCn1c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C20H20N4O2/c1-22-17-10-6-5-9-16(17)21-18(19(22)25)20(26)24-13-11-23(12-14-24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyKDBIPETZUSWQOR-UHFFFAOYSA-N
XLogP1.90
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one
CID 46979077
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-ethylquinoxalin-2-one
CID 50808145
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
CID 46364973
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833
1-methyl-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]quinoxalin-2-one
CID 46364985
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
CID 53131472
2-(4-phenylpiperazine-1-carbonyl)-5-propylpyrazolo[1,5-a]quinoxalin-4-one
CID 53194342
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
2-methyl-5-(4-phenylpiperazine-1-carbonyl)-4H-1,2,4-triazol-3-one
CID 136849778
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one?
The IUPAC name of 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one (CID 46365024) is 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one is Cn1c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one?
The InChIKey is KDBIPETZUSWQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-22-17-10-6-5-9-16(17)21-18(19(22)25)20(26)24-13-11-23(12-14-24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one?
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one has a molecular weight of 348.41 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one is sourced from PubChem (CID 46365024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).