4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

C12H9N3O2 — CID 59587752

IUPAC4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C12H9N3O2/c13-11(16)7-3-4-9-8(6-7)14-12(17)10-2-1-5-15(9)10/h1-6H,(H2,13,16)(H,14,17)
InChIKeyZHFDVBATFZSCOY-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.88
Rot. Bonds1

About 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (PubChem CID 59587752) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
PubChem CID59587752
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)[nH]c(=O)c1cccn12
InChIInChI=1S/C12H9N3O2/c13-11(16)7-3-4-9-8(6-7)14-12(17)10-2-1-5-15(9)10/h1-6H,(H2,13,16)(H,14,17)
InChIKeyZHFDVBATFZSCOY-UHFFFAOYSA-N
XLogP0.88
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 59587728
(4-oxo-5H-pyrrolo[1,2-a]quinoxalin-7-yl)azanium chloride
CID 110187058
4-oxo-N-(1,3-thiazol-2-yl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 87477582
4-oxo-N-(2-thiomorpholin-4-ylethyl)-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 68502159
4-(1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-4-yl)benzamide
CID 68750998
6-oxo-5H-phenanthridine-3-carboxamide
CID 140650320
8-methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 24970539
4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
CID 82618520
N-(2-morpholin-4-ylethyl)-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-8-carboxamide
CID 24831358
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
1-[1-amino-4-(2,3-dihydro-1H-inden-2-yl)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70008309
2-bromo-1H-indole-6-carboxamide
CID 174840846

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The IUPAC name of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide (CID 59587752) is 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The canonical SMILES for 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is NC(=O)c1ccc2c(c1)[nH]c(=O)c1cccn12.
What is the InChIKey of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
The InChIKey is ZHFDVBATFZSCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-11(16)7-3-4-9-8(6-7)14-12(17)10-2-1-5-15(9)10/h1-6H,(H2,13,16)(H,14,17).
What are the key properties of 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide?
4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide has a molecular weight of 227.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 59587752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).