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

C18H22N4O3 — CID 53194364

IUPACN-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(=O)n(CC(C)C)c3ccccc3n2n1
InChIInChI=1S/C18H22N4O3/c1-12(2)11-21-14-6-4-5-7-15(14)22-16(18(21)24)10-13(20-22)17(23)19-8-9-25-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,23)
InChIKeyGHULGDNIVOYLFA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.68
Rot. Bonds6

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

N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 53194364) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID53194364
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCOCCNC(=O)c1cc2c(=O)n(CC(C)C)c3ccccc3n2n1
InChIInChI=1S/C18H22N4O3/c1-12(2)11-21-14-6-4-5-7-15(14)22-16(18(21)24)10-13(20-22)17(23)19-8-9-25-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,23)
InChIKeyGHULGDNIVOYLFA-UHFFFAOYSA-N
XLogP1.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.68
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

N,5-bis(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194389
5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194421
methyl 3-[[5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
CID 53194377
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 95112402
5-(2-methylpropyl)-N-(4-morpholin-4-ylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194396
N-methyl-5-(2-methylpropyl)-4-oxo-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194371
N-(3,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194302
N-(2,4-dimethoxyphenyl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194313
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
CID 138604593

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide (CID 53194364) is N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is COCCNC(=O)c1cc2c(=O)n(CC(C)C)c3ccccc3n2n1.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is GHULGDNIVOYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)11-21-14-6-4-5-7-15(14)22-16(18(21)24)10-13(20-22)17(23)19-8-9-25-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide?
N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-methylpropyl)-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 53194364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).