2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C23H20N4O3 — CID 46357211

IUPAC2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCc1cccnc1
InChIInChI=1S/C23H20N4O3/c28-21(25-14-18-9-6-12-24-13-18)16-27-20-11-5-4-10-19(20)26(22(29)23(27)30)15-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,25,28)
InChIKeyUXQHZWMQPJIMED-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.92
Rot. Bonds6

About 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 46357211) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID46357211
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCc1cccnc1
InChIInChI=1S/C23H20N4O3/c28-21(25-14-18-9-6-12-24-13-18)16-27-20-11-5-4-10-19(20)26(22(29)23(27)30)15-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,25,28)
InChIKeyUXQHZWMQPJIMED-UHFFFAOYSA-N
XLogP1.92
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.92
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-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 46357271
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 50815635
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-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 53001131
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46357424
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 46259328
3-[4-[(4-chlorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 16832838
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50755367

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 46357211) is 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)NCc1cccnc1.
What is the InChIKey of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UXQHZWMQPJIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-21(25-14-18-9-6-12-24-13-18)16-27-20-11-5-4-10-19(20)26(22(29)23(27)30)15-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,25,28).
What are the key properties of 2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 1.92, 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 46357211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).