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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Related Compounds

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CID 12002825
Nanterinone
CID 71305
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079
7-Dimethylamino-4-(3-imidazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10201802
4-(3-Imidazol-1-yl-phenyl)-7-isobutylamino-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10297067
6-(Trifluoromethyl)-7-(1H-imidazol-1-yl)quinoxaline-2,3(1H,4H)-dione
CID 10379801
4-(3-(1H-imidazol-1-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 18548739
7-imidazol-1-yl-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid
CID 44393596
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 4616323
(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)-5a,6,7,8,9,9a-hexahydroimidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide
CID 124037381
8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
CID 10781868
7-Imidazol-1-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
CID 11777025

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).