6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one

C15H13F3N4O — CID 59874491

IUPAC6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESCCc1cn(-c2cc3nc(C)c(=O)[nH]c3cc2C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N4O/c1-3-9-6-22(7-19-9)13-5-12-11(4-10(13)15(16,17)18)21-14(23)8(2)20-12/h4-7H,3H2,1-2H3,(H,21,23)
InChIKeyCCMOLAGBZJSOPR-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.00
Rot. Bonds2

About 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one

6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one (PubChem CID 59874491) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
PubChem CID59874491
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESCCc1cn(-c2cc3nc(C)c(=O)[nH]c3cc2C(F)(F)F)cn1
InChIInChI=1S/C15H13F3N4O/c1-3-9-6-22(7-19-9)13-5-12-11(4-10(13)15(16,17)18)21-14(23)8(2)20-12/h4-7H,3H2,1-2H3,(H,21,23)
InChIKeyCCMOLAGBZJSOPR-UHFFFAOYSA-N
XLogP3.00
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
The IUPAC name of 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one (CID 59874491) is 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one is CCc1cn(-c2cc3nc(C)c(=O)[nH]c3cc2C(F)(F)F)cn1.
What is the InChIKey of 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
The InChIKey is CCMOLAGBZJSOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-3-9-6-22(7-19-9)13-5-12-11(4-10(13)15(16,17)18)21-14(23)8(2)20-12/h4-7H,3H2,1-2H3,(H,21,23).
What are the key properties of 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one?
6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one has a molecular weight of 322.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 59874491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).