2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C23H21N3O4 — CID 46357271

IUPAC2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccccc32)o1
InChIInChI=1S/C23H21N3O4/c1-16-11-12-18(30-16)13-24-21(27)15-26-20-10-6-5-9-19(20)25(22(28)23(26)29)14-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,24,27)
InChIKeyYOIOPHDRKOXARJ-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 46357271) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID46357271
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccccc32)o1
InChIInChI=1S/C23H21N3O4/c1-16-11-12-18(30-16)13-24-21(27)15-26-20-10-6-5-9-19(20)25(22(28)23(26)29)14-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,24,27)
InChIKeyYOIOPHDRKOXARJ-UHFFFAOYSA-N
XLogP2.43
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 53030670
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46357424
3-benzyl-1-methyl-N-[(5-methylfuran-2-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 90933176
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 46357255
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 50781668
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 46259328
N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide
CID 87050468
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53135627
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide
CID 46357376
N-[3-(azepan-1-yl)propyl]-2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 22580628
4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
CID 87050548

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 46357271) is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccccc32)o1.
What is the InChIKey of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is YOIOPHDRKOXARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-16-11-12-18(30-16)13-24-21(27)15-26-20-10-6-5-9-19(20)25(22(28)23(26)29)14-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,24,27).
What are the key properties of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 46357271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).