N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

C21H20N4O4 — CID 53194302

IUPACN-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)nn2c2ccccc21
InChIInChI=1S/C21H20N4O4/c1-4-24-15-7-5-6-8-16(15)25-17(21(24)27)12-14(23-25)20(26)22-13-9-10-18(28-2)19(11-13)29-3/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeyLHJHLWFLWLURTJ-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.94
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 53194302) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID53194302
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)nn2c2ccccc21
InChIInChI=1S/C21H20N4O4/c1-4-24-15-7-5-6-8-16(15)25-17(21(24)27)12-14(23-25)20(26)22-13-9-10-18(28-2)19(11-13)29-3/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeyLHJHLWFLWLURTJ-UHFFFAOYSA-N
XLogP2.94
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194313
N-(3-fluoro-4-methoxyphenyl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194266
methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
CID 53194377
5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820769
N-(2,4-dimethoxyphenyl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194272
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619926
N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54733567
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
N-(3,4-dimethoxyphenyl)-2-methyltriazole-4-carboxamide
CID 110691494
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (CID 53194302) is N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is CCn1c(=O)c2cc(C(=O)Nc3ccc(OC)c(OC)c3)nn2c2ccccc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is LHJHLWFLWLURTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-4-24-15-7-5-6-8-16(15)25-17(21(24)27)12-14(23-25)20(26)22-13-9-10-18(28-2)19(11-13)29-3/h5-12H,4H2,1-3H3,(H,22,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 53194302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).