1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one

C20H22N4O — CID 67481732

IUPAC1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
SMILESCN1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C20H22N4O/c1-22-11-13-23(14-12-22)19-20(25)24(15-16-7-3-2-4-8-16)18-10-6-5-9-17(18)21-19/h2-10H,11-15H2,1H3
InChIKeyJORXUVJJSXEKFA-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.20
Rot. Bonds3

About 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one

1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one (PubChem CID 67481732) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
PubChem CID67481732
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one
SMILESCN1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C20H22N4O/c1-22-11-13-23(14-12-22)19-20(25)24(15-16-7-3-2-4-8-16)18-10-6-5-9-17(18)21-19/h2-10H,11-15H2,1H3
InChIKeyJORXUVJJSXEKFA-UHFFFAOYSA-N
XLogP2.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-piperidin-1-ylquinoxalin-2-one
CID 174769757
1-benzyl-3-[4-(cyclobutanecarbonyl)piperazin-1-yl]quinoxalin-2-one
CID 50837523
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
CID 50837579
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191
1-benzyl-3-[4-(3-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837506
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one?
The IUPAC name of 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one (CID 67481732) is 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one is CN1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one?
The InChIKey is JORXUVJJSXEKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-22-11-13-23(14-12-22)19-20(25)24(15-16-7-3-2-4-8-16)18-10-6-5-9-17(18)21-19/h2-10H,11-15H2,1H3.
What are the key properties of 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one?
1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylpiperazin-1-yl)quinoxalin-2-one is sourced from PubChem (CID 67481732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).