6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione

C12H7F3N4O2 — CID 10379801

IUPAC6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(-n3ccnc3)c(C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)6-3-7-8(18-11(21)10(20)17-7)4-9(6)19-2-1-16-5-19/h1-5H,(H,17,20)(H,18,21)
InChIKeyPAMZQARDWOTZDT-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.42
Rot. Bonds1

About 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione

6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10379801) has the molecular formula C12H7F3N4O2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10379801
Molecular FormulaC12H7F3N4O2
Molecular Weight296.21 g/mol
Exact Mass296.05
IUPAC Name6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(-n3ccnc3)c(C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)6-3-7-8(18-11(21)10(20)17-7)4-9(6)19-2-1-16-5-19/h1-5H,(H,17,20)(H,18,21)
InChIKeyPAMZQARDWOTZDT-UHFFFAOYSA-N
XLogP1.42
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 13885278
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
6,7-Di(imidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione
CID 10469679
7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]quinoxalin-4(5H)-one
CID 25156561
7-imidazol-1-yl-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid
CID 44393596
7-((dimethylamino)methyl)imidazo[1,2-a]quinoxalin-4(5H)-one
CID 45271137
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 4616323
8-imidazol-1-yl-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
CID 10781868
8-Imidazol-1-yl-4-oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11740016
7-Imidazol-1-yl-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
CID 11777025
7-imidazol-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136058103

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 10379801) is 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(-n3ccnc3)c(C(F)(F)F)cc2[nH]c1=O.
What is the InChIKey of 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is PAMZQARDWOTZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O2/c13-12(14,15)6-3-7-8(18-11(21)10(20)17-7)4-9(6)19-2-1-16-5-19/h1-5H,(H,17,20)(H,18,21).
What are the key properties of 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione?
6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 296.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10379801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).