4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione

C16H11F3N2O2 — CID 19421455

IUPAC4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)11-6-7-12-13(8-11)21(15(23)14(22)20-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,22)
InChIKeyXABIKEVTXMZNPC-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.76
Rot. Bonds2

About 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione

4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (PubChem CID 19421455) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
PubChem CID19421455
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)11-6-7-12-13(8-11)21(15(23)14(22)20-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,22)
InChIKeyXABIKEVTXMZNPC-UHFFFAOYSA-N
XLogP2.76
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (CID 19421455) is 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2ccc(C(F)(F)F)cc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is XABIKEVTXMZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)11-6-7-12-13(8-11)21(15(23)14(22)20-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,22).
What are the key properties of 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 320.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 19421455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).