3-oxo-2H-quinoxaline-2-carboxamide

C9H7N3O2 — CID 73180761

IUPAC3-oxo-2H-quinoxaline-2-carboxamide
SMILESNC(=O)C1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H7N3O2/c10-8(13)7-9(14)12-6-4-2-1-3-5(6)11-7/h1-4,7H,(H2,10,13)
InChIKeyGYAYNYPWZXLEJS-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.68
Rot. Bonds1

About 3-oxo-2H-quinoxaline-2-carboxamide

3-oxo-2H-quinoxaline-2-carboxamide (PubChem CID 73180761) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-oxo-2H-quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-oxo-2H-quinoxaline-2-carboxamide
PubChem CID73180761
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name3-oxo-2H-quinoxaline-2-carboxamide
SMILESNC(=O)C1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H7N3O2/c10-8(13)7-9(14)12-6-4-2-1-3-5(6)11-7/h1-4,7H,(H2,10,13)
InChIKeyGYAYNYPWZXLEJS-UHFFFAOYSA-N
XLogP-1.68
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-Quinolonecarboxamide
CID 129780962
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
2-Amino-3-quinoxalone
CID 72207653
3-methyl-3H-quinoxalin-2-one
CID 90761700
(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one
CID 139702646
2,3-Dihydroquinoline-2-carboxamide
CID 153996049
3-(aminomethyl)-3H-quinoxalin-2-one
CID 76851164
3-amino-3H-quinolin-2-one
CID 77620786

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2H-quinoxaline-2-carboxamide?
The IUPAC name of 3-oxo-2H-quinoxaline-2-carboxamide (CID 73180761) is 3-oxo-2H-quinoxaline-2-carboxamide.
What is the SMILES notation for 3-oxo-2H-quinoxaline-2-carboxamide?
The canonical SMILES for 3-oxo-2H-quinoxaline-2-carboxamide is NC(=O)C1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-oxo-2H-quinoxaline-2-carboxamide?
The InChIKey is GYAYNYPWZXLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-8(13)7-9(14)12-6-4-2-1-3-5(6)11-7/h1-4,7H,(H2,10,13).
What are the key properties of 3-oxo-2H-quinoxaline-2-carboxamide?
3-oxo-2H-quinoxaline-2-carboxamide has a molecular weight of 189.17 g/mol, XLogP of -1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2H-quinoxaline-2-carboxamide is sourced from PubChem (CID 73180761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).