N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide

C10H9N3O3 — CID 60700393

IUPACN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H9N3O3/c1-5(14)11-6-2-3-7-8(4-6)13-10(16)9(15)12-7/h2-4H,1H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyUXCUMRCDCJQBRO-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.17
Rot. Bonds1

About N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide

N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide (PubChem CID 60700393) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
PubChem CID60700393
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC NameN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H9N3O3/c1-5(14)11-6-2-3-7-8(4-6)13-10(16)9(15)12-7/h2-4H,1H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyUXCUMRCDCJQBRO-UHFFFAOYSA-N
XLogP0.17
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
CID 62231775
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
CID 60836174
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
5-bromo-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pentanamide
CID 107908877
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide
CID 115452525
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8948756
2-(4-acetamidophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46630247
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
N-[4-[(7-methyl-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]phenyl]acetamide
CID 46276494

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide?
The IUPAC name of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide (CID 60700393) is N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide.
What is the SMILES notation for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide?
The canonical SMILES for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide is CC(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide?
The InChIKey is UXCUMRCDCJQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-5(14)11-6-2-3-7-8(4-6)13-10(16)9(15)12-7/h2-4H,1H3,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide?
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide has a molecular weight of 219.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide is sourced from PubChem (CID 60700393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).