1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone

C14H9F3N2O3S — CID 91267010

IUPAC1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(C1=C(c2cccs2)N(O)c2ccccc2N1O)C(F)(F)F
InChIInChI=1S/C14H9F3N2O3S/c15-14(16,17)13(20)12-11(10-6-3-7-23-10)18(21)8-4-1-2-5-9(8)19(12)22/h1-7,21-22H
InChIKeyHTHIIOQOVLBVRP-UHFFFAOYSA-N
MW342.30 g/mol
LogP3.65
Rot. Bonds2

About 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone

1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone (PubChem CID 91267010) has the molecular formula C14H9F3N2O3S and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone
PubChem CID91267010
Molecular FormulaC14H9F3N2O3S
Molecular Weight342.30 g/mol
Exact Mass342.03
IUPAC Name1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(C1=C(c2cccs2)N(O)c2ccccc2N1O)C(F)(F)F
InChIInChI=1S/C14H9F3N2O3S/c15-14(16,17)13(20)12-11(10-6-3-7-23-10)18(21)8-4-1-2-5-9(8)19(12)22/h1-7,21-22H
InChIKeyHTHIIOQOVLBVRP-UHFFFAOYSA-N
XLogP3.65
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethenyl-5-thiophen-2-ylpyrrol-2-yl)-2,2,2-trifluoroethanone
CID 4218698
2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone
CID 71670619
5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione
CID 125493493
2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
CID 44562606
4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 11245094
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]ethanone
CID 21093218
3-thiophen-2-yl-N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 71962953
2-[5-(carboxymethyl)-3,6-dioxo-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrol-2-yl]acetic acid
CID 132564005
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone (CID 91267010) is 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone is O=C(C1=C(c2cccs2)N(O)c2ccccc2N1O)C(F)(F)F.
What is the InChIKey of 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is HTHIIOQOVLBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3S/c15-14(16,17)13(20)12-11(10-6-3-7-23-10)18(21)8-4-1-2-5-9(8)19(12)22/h1-7,21-22H.
What are the key properties of 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone?
1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 342.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydroxy-3-thiophen-2-ylquinoxalin-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 91267010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).