1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

C20H21F3N4O3 — CID 24990170

IUPAC1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1OC(F)(F)F
InChIInChI=1S/C20H21F3N4O3/c1-26(2)19(29)12-8-13-14(9-16(12)30-20(21,22)23)27-15(18(28)25-13)10-24-17(27)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,25,28)
InChIKeyIDXXHKMNWVRELT-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.82
Rot. Bonds3

About 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 24990170) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
PubChem CID24990170
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESCN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1OC(F)(F)F
InChIInChI=1S/C20H21F3N4O3/c1-26(2)19(29)12-8-13-14(9-16(12)30-20(21,22)23)27-15(18(28)25-13)10-24-17(27)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,25,28)
InChIKeyIDXXHKMNWVRELT-UHFFFAOYSA-N
XLogP3.82
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (CID 24990170) is 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is CN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1OC(F)(F)F.
What is the InChIKey of 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is IDXXHKMNWVRELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-26(2)19(29)12-8-13-14(9-16(12)30-20(21,22)23)27-15(18(28)25-13)10-24-17(27)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,25,28).
What are the key properties of 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 24990170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).