1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide

C22H28N4O3 — CID 59198555

IUPAC1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1
InChIInChI=1S/C22H28N4O3/c1-3-29-12-11-25(2)22(28)16-9-10-17-18(13-16)26-19(21(27)24-17)14-23-20(26)15-7-5-4-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,24,27)
InChIKeyJMIFEYCLFUYNOD-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.33
Rot. Bonds6

About 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide

1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (PubChem CID 59198555) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
PubChem CID59198555
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1
InChIInChI=1S/C22H28N4O3/c1-3-29-12-11-25(2)22(28)16-9-10-17-18(13-16)26-19(21(27)24-17)14-23-20(26)15-7-5-4-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,24,27)
InChIKeyJMIFEYCLFUYNOD-UHFFFAOYSA-N
XLogP3.33
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (CID 59198555) is 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is CCOCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1.
What is the InChIKey of 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The InChIKey is JMIFEYCLFUYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-29-12-11-25(2)22(28)16-9-10-17-18(13-16)26-19(21(27)24-17)14-23-20(26)15-7-5-4-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,24,27).
What are the key properties of 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-ethoxyethyl)-N-methyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 59198555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).