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

C19H16F6N4O2 — CID 24989783

IUPAC1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESO=C(c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H16F6N4O2/c20-18(21,22)29(19(23,24)25)17(31)11-6-7-12-13(8-11)28-14(16(30)27-12)9-26-15(28)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,27,30)
InChIKeyQMCKJSZNWYRBIO-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.71
Rot. Bonds2

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

1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (PubChem CID 24989783) has the molecular formula C19H16F6N4O2 and a molecular weight of 446.35 g/mol. Its IUPAC name is 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
PubChem CID24989783
Molecular FormulaC19H16F6N4O2
Molecular Weight446.35 g/mol
Exact Mass446.12
IUPAC Name1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide
SMILESO=C(c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H16F6N4O2/c20-18(21,22)29(19(23,24)25)17(31)11-6-7-12-13(8-11)28-14(16(30)27-12)9-26-15(28)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,27,30)
InChIKeyQMCKJSZNWYRBIO-UHFFFAOYSA-N
XLogP4.71
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.71
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-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide (CID 24989783) is 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is O=C(c1ccc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2c1)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
The InChIKey is QMCKJSZNWYRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O2/c20-18(21,22)29(19(23,24)25)17(31)11-6-7-12-13(8-11)28-14(16(30)27-12)9-26-15(28)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,27,30).
What are the key properties of 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide?
1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide has a molecular weight of 446.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-oxo-N,N-bis(trifluoromethyl)-5H-imidazo[1,5-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 24989783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).