benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate

C21H20N4O3 — CID 169095150

IUPACbenzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate
SMILESCCn1c(=O)c2ccnn2c2cc(NC(=O)OCc3ccccc3)c(C)cc21
InChIInChI=1S/C21H20N4O3/c1-3-24-18-11-14(2)16(12-19(18)25-17(20(24)26)9-10-22-25)23-21(27)28-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,23,27)
InChIKeyVXRIKKXUMPHFEK-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.73
Rot. Bonds4

About benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate

benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate (PubChem CID 169095150) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate
PubChem CID169095150
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namebenzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate
SMILESCCn1c(=O)c2ccnn2c2cc(NC(=O)OCc3ccccc3)c(C)cc21
InChIInChI=1S/C21H20N4O3/c1-3-24-18-11-14(2)16(12-19(18)25-17(20(24)26)9-10-22-25)23-21(27)28-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,23,27)
InChIKeyVXRIKKXUMPHFEK-UHFFFAOYSA-N
XLogP3.73
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
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CID 130580947
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-(1-ethyl-6-oxo-3-pyridinyl)carbamate
CID 130157687
2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
benzyl N-(1-methyl-2-oxo-5-pyridin-4-yl-3-pyridinyl)carbamate
CID 117074356
benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 130581119
benzyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)carbamate
CID 70699902
ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
CID 10596732
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate?
The IUPAC name of benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate (CID 169095150) is benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate.
What is the SMILES notation for benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate?
The canonical SMILES for benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate is CCn1c(=O)c2ccnn2c2cc(NC(=O)OCc3ccccc3)c(C)cc21.
What is the InChIKey of benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate?
The InChIKey is VXRIKKXUMPHFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-24-18-11-14(2)16(12-19(18)25-17(20(24)26)9-10-22-25)23-21(27)28-13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,23,27).
What are the key properties of benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate?
benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate has a molecular weight of 376.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-ethyl-7-methyl-4-oxopyrazolo[1,5-a]quinoxalin-8-yl)carbamate is sourced from PubChem (CID 169095150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).