1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide

C18H18N4O3 — CID 39560436

IUPAC1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCc3cccnc3)ccc21
InChIInChI=1S/C18H18N4O3/c1-2-22-15-6-5-13(10-14(15)21-17(24)18(22)25)16(23)20-9-7-12-4-3-8-19-11-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyJBLJTJZLOVKCSV-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.08
Rot. Bonds5

About 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide

1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide (PubChem CID 39560436) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
PubChem CID39560436
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCc3cccnc3)ccc21
InChIInChI=1S/C18H18N4O3/c1-2-22-15-6-5-13(10-14(15)21-17(24)18(22)25)16(23)20-9-7-12-4-3-8-19-11-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyJBLJTJZLOVKCSV-UHFFFAOYSA-N
XLogP1.08
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

5-ethyl-4-oxo-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186625
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17468452
1-ethyl-N-(3-methoxypropyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35513573
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508
1-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35858767
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949
1-ethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 27823645
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
CID 24536906
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide (CID 39560436) is 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCCc3cccnc3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide?
The InChIKey is JBLJTJZLOVKCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-22-15-6-5-13(10-14(15)21-17(24)18(22)25)16(23)20-9-7-12-4-3-8-19-11-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide?
1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 39560436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).