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

C24H17ClN4O2 — CID 91903225

IUPAC5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12
InChIInChI=1S/C24H17ClN4O2/c25-18-7-9-19(10-8-18)27-23(30)17-6-11-20-22(14-17)28(15-16-4-2-1-3-5-16)24(31)21-12-13-26-29(20)21/h1-14H,15H2,(H,27,30)
InChIKeyYEWYECZHZPUDGK-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.60
Rot. Bonds4

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

5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 91903225) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID91903225
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC Name5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12
InChIInChI=1S/C24H17ClN4O2/c25-18-7-9-19(10-8-18)27-23(30)17-6-11-20-22(14-17)28(15-16-4-2-1-3-5-16)24(31)21-12-13-26-29(20)21/h1-14H,15H2,(H,27,30)
InChIKeyYEWYECZHZPUDGK-UHFFFAOYSA-N
XLogP4.60
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186572
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577
5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 91903265
5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186734
5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171352839
5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186706

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 91903225) is 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12.
What is the InChIKey of 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is YEWYECZHZPUDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-18-7-9-19(10-8-18)27-23(30)17-6-11-20-22(14-17)28(15-16-4-2-1-3-5-16)24(31)21-12-13-26-29(20)21/h1-14H,15H2,(H,27,30).
What are the key properties of 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 91903225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).