1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide

C16H20N4O4 — CID 27742876

IUPAC1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(=O)NC(C)C)ccc21
InChIInChI=1S/C16H20N4O4/c1-4-20-12-6-5-10(7-11(12)19-15(23)16(20)24)14(22)17-8-13(21)18-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyARXHSUHSDGBEJI-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.04
Rot. Bonds5

About 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide

1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide (PubChem CID 27742876) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
PubChem CID27742876
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(=O)NC(C)C)ccc21
InChIInChI=1S/C16H20N4O4/c1-4-20-12-6-5-10(7-11(12)19-15(23)16(20)24)14(22)17-8-13(21)18-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyARXHSUHSDGBEJI-UHFFFAOYSA-N
XLogP-0.04
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
1-ethyl-N-(3-methyl-1-phenylbutyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 78799420
1-ethyl-N-[(1S)-1-naphthalen-2-ylethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40986105
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
N-[1-(4-chlorophenyl)propyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17441845
1-ethyl-N-(1H-indol-2-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 167771108
N-(2-amino-1-cyclopropylethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119616301
N-(1-amino-2,3-dimethylbutan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119607970
N-[3-(4-bromoanilino)-3-oxopropyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60552253

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide (CID 27742876) is 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC(=O)NC(C)C)ccc21.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide?
The InChIKey is ARXHSUHSDGBEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-4-20-12-6-5-10(7-11(12)19-15(23)16(20)24)14(22)17-8-13(21)18-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide?
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 27742876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).