5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C21H20N4O3 — CID 53186672

IUPAC5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12
InChIInChI=1S/C21H20N4O3/c1-28-12-11-22-20(26)16-7-8-17-19(13-16)24(14-15-5-3-2-4-6-15)21(27)18-9-10-23-25(17)18/h2-10,13H,11-12,14H2,1H3,(H,22,26)
InChIKeyBVOXQGAXMQZXNX-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.07
Rot. Bonds6

About 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186672) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186672
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12
InChIInChI=1S/C21H20N4O3/c1-28-12-11-22-20(26)16-7-8-17-19(13-16)24(14-15-5-3-2-4-6-15)21(27)18-9-10-23-25(17)18/h2-10,13H,11-12,14H2,1H3,(H,22,26)
InChIKeyBVOXQGAXMQZXNX-UHFFFAOYSA-N
XLogP2.07
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903225
5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186706
5-ethyl-4-oxo-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186625
3-benzyl-N-(2-methoxyethyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067053
5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903366
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171352839
5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186584
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186672) is 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is COCCNC(=O)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12.
What is the InChIKey of 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is BVOXQGAXMQZXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-28-12-11-22-20(26)16-7-8-17-19(13-16)24(14-15-5-3-2-4-6-15)21(27)18-9-10-23-25(17)18/h2-10,13H,11-12,14H2,1H3,(H,22,26).
What are the key properties of 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).