2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide

C10H6N4O4-2 — CID 14288195

IUPAC2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide
SMILESO=C(N[O-])c1nc2ccccc2nc1C(=O)N[O-]
InChIInChI=1S/C10H6N4O4/c15-9(13-17)7-8(10(16)14-18)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2-2,11,12,13,14,15,16,17,18)/q-2
InChIKeyVIBUBPDURZFNHH-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.09
Rot. Bonds2

About 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide

2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide (PubChem CID 14288195) has the molecular formula C10H6N4O4-2 and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide
PubChem CID14288195
Molecular FormulaC10H6N4O4-2
Molecular Weight246.18 g/mol
Exact Mass246.04
IUPAC Name2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide
SMILESO=C(N[O-])c1nc2ccccc2nc1C(=O)N[O-]
InChIInChI=1S/C10H6N4O4/c15-9(13-17)7-8(10(16)14-18)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2-2,11,12,13,14,15,16,17,18)/q-2
InChIKeyVIBUBPDURZFNHH-UHFFFAOYSA-N
XLogP0.09
TPSA130.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

lead(2+);bis(N-oxidobenzamide)
CID 174994108
sodium 3-carbamoylquinoxaline-2-carboxylate
CID 135044393
3-hydroxy-N-methylquinoline-2-carboxamide
CID 142526023
2-acetyl-N-oxidobenzamide
CID 163875491
hydron;phenazine
CID 175446889
N-acridin-9-ylbenzamide
CID 40532924
phenazine;silver
CID 175026023
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
N-(3-benzamidophenazin-2-yl)benzamide
CID 3547793
3-(diethylamino)-N-(2-methylphenyl)quinoxaline-2-carboxamide
CID 46365128
N-tert-butylphenanthridine-6-carboxamide
CID 102585131
2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
CID 27035862

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide?
The IUPAC name of 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide (CID 14288195) is 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide.
What is the SMILES notation for 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide?
The canonical SMILES for 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide is O=C(N[O-])c1nc2ccccc2nc1C(=O)N[O-].
What is the InChIKey of 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide?
The InChIKey is VIBUBPDURZFNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O4/c15-9(13-17)7-8(10(16)14-18)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2-2,11,12,13,14,15,16,17,18)/q-2.
What are the key properties of 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide?
2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide has a molecular weight of 246.18 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-dioxidoquinoxaline-2,3-dicarboxamide is sourced from PubChem (CID 14288195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).