2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile

C17H10F3N3O3 — CID 19421405

IUPAC2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2OCc1ccccc1
InChIInChI=1S/C17H10F3N3O3/c18-17(19,20)12-7-13-14(6-11(12)8-21)23(16(25)15(24)22-13)26-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,22,24)
InChIKeyLUDQLLCTIYFCRR-UHFFFAOYSA-N
MW361.28 g/mol
LogP2.21
Rot. Bonds3

About 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile

2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile (PubChem CID 19421405) has the molecular formula C17H10F3N3O3 and a molecular weight of 361.28 g/mol. Its IUPAC name is 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile
PubChem CID19421405
Molecular FormulaC17H10F3N3O3
Molecular Weight361.28 g/mol
Exact Mass361.07
IUPAC Name2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2OCc1ccccc1
InChIInChI=1S/C17H10F3N3O3/c18-17(19,20)12-7-13-14(6-11(12)8-21)23(16(25)15(24)22-13)26-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,22,24)
InChIKeyLUDQLLCTIYFCRR-UHFFFAOYSA-N
XLogP2.21
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile (CID 19421405) is 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile is N#Cc1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2OCc1ccccc1.
What is the InChIKey of 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile?
The InChIKey is LUDQLLCTIYFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O3/c18-17(19,20)12-7-13-14(6-11(12)8-21)23(16(25)15(24)22-13)26-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,22,24).
What are the key properties of 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile?
2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile has a molecular weight of 361.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 19421405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).