2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide

C15H19N3O3 — CID 46786280

IUPAC2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide
SMILESCCCCn1c(=O)c(=O)n(CC(=O)NC)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-3-4-9-17-11-7-5-6-8-12(11)18(10-13(19)16-2)15(21)14(17)20/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyCEUILJRYTVMPMR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.71
Rot. Bonds5

About 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide

2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide (PubChem CID 46786280) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide
PubChem CID46786280
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide
SMILESCCCCn1c(=O)c(=O)n(CC(=O)NC)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-3-4-9-17-11-7-5-6-8-12(11)18(10-13(19)16-2)15(21)14(17)20/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyCEUILJRYTVMPMR-UHFFFAOYSA-N
XLogP0.71
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
CID 46786299
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-butyl-3-chloro-4-hydroxyquinolin-2-one
CID 54705930

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide (CID 46786280) is 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide is CCCCn1c(=O)c(=O)n(CC(=O)NC)c2ccccc21.
What is the InChIKey of 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide?
The InChIKey is CEUILJRYTVMPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-9-17-11-7-5-6-8-12(11)18(10-13(19)16-2)15(21)14(17)20/h5-8H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide?
2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide has a molecular weight of 289.34 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,3-dioxoquinoxalin-1-yl)-N-methylacetamide is sourced from PubChem (CID 46786280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).