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

C19H19F3N4O2 — CID 24989405

IUPAC1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-25(19(20,21)22)18(28)12-7-8-13-14(9-12)26-15(17(27)24-13)10-23-16(26)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,24,27)
InChIKeyMOTQKIRMRADJPL-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.82
Rot. Bonds2

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

1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (PubChem CID 24989405) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
PubChem CID24989405
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1)C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-25(19(20,21)22)18(28)12-7-8-13-14(9-12)26-15(17(27)24-13)10-23-16(26)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,24,27)
InChIKeyMOTQKIRMRADJPL-UHFFFAOYSA-N
XLogP3.82
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (CID 24989405) is 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is CN(C(=O)c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The InChIKey is MOTQKIRMRADJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-25(19(20,21)22)18(28)12-7-8-13-14(9-12)26-15(17(27)24-13)10-23-16(26)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H,24,27).
What are the key properties of 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-4-oxo-N-(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 24989405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).