N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C17H13N3O4 — CID 23474514

IUPACN-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H13N3O4/c1-9(21)10-2-5-12(6-3-10)18-15(22)11-4-7-13-14(8-11)20-17(24)16(23)19-13/h2-8H,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyURRQBSQEIHYYFY-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.67
Rot. Bonds3

About N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23474514) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID23474514
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H13N3O4/c1-9(21)10-2-5-12(6-3-10)18-15(22)11-4-7-13-14(8-11)20-17(24)16(23)19-13/h2-8H,1H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyURRQBSQEIHYYFY-UHFFFAOYSA-N
XLogP1.67
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
1-(4-acetylphenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2406863
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692387
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-5-iodothiophene-3-carboxamide
CID 79691671
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 23474514) is N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is URRQBSQEIHYYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-9(21)10-2-5-12(6-3-10)18-15(22)11-4-7-13-14(8-11)20-17(24)16(23)19-13/h2-8H,1H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23474514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).