N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide

C13H15N3O2 — CID 10444556

IUPACN,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O2/c1-3-16(4-2)13(18)11-12(17)15-10-8-6-5-7-9(10)14-11/h5-8H,3-4H2,1-2H3,(H,15,17)
InChIKeyIDQJSZLEOWXHAA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.41
Rot. Bonds3

About N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide

N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide (PubChem CID 10444556) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
PubChem CID10444556
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
SMILESCCN(CC)C(=O)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C13H15N3O2/c1-3-16(4-2)13(18)11-12(17)15-10-8-6-5-7-9(10)14-11/h5-8H,3-4H2,1-2H3,(H,15,17)
InChIKeyIDQJSZLEOWXHAA-UHFFFAOYSA-N
XLogP1.41
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 146041516
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714839
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 157012168
N-(3-methoxy-2,2-dimethylpropyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 56714407
N-[2-[[2-[(1S,2R)-2-hydroxycyclopentyl]acetyl]-methylamino]ethyl]-N-methyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 166379452
3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
CID 142897064
3-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-quinoxalin-2-one
CID 62022162
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide?
The IUPAC name of N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide (CID 10444556) is N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide.
What is the SMILES notation for N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide?
The canonical SMILES for N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide is CCN(CC)C(=O)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide?
The InChIKey is IDQJSZLEOWXHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-16(4-2)13(18)11-12(17)15-10-8-6-5-7-9(10)14-11/h5-8H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide?
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide is sourced from PubChem (CID 10444556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).