5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C26H22N4O3 — CID 91903366

IUPAC5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4C)cc32)cc1
InChIInChI=1S/C26H22N4O3/c1-17-5-3-4-6-21(17)28-25(31)19-9-12-22-24(15-19)29(26(32)23-13-14-27-30(22)23)16-18-7-10-20(33-2)11-8-18/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyRPSKSFYMQQMIDP-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.27
Rot. Bonds5

About 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 91903366) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID91903366
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4C)cc32)cc1
InChIInChI=1S/C26H22N4O3/c1-17-5-3-4-6-21(17)28-25(31)19-9-12-22-24(15-19)29(26(32)23-13-14-27-30(22)23)16-18-7-10-20(33-2)11-8-18/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyRPSKSFYMQQMIDP-UHFFFAOYSA-N
XLogP4.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 91903366) is 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is COc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4C)cc32)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is RPSKSFYMQQMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-17-5-3-4-6-21(17)28-25(31)19-9-12-22-24(15-19)29(26(32)23-13-14-27-30(22)23)16-18-7-10-20(33-2)11-8-18/h3-15H,16H2,1-2H3,(H,28,31).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 91903366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).