1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone

C19H13F5N4O — CID 16609634

IUPAC1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
SMILESCN1CCN(C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c2nc3ccccc3nc21
InChIInChI=1S/C19H13F5N4O/c1-27-6-7-28(19-18(27)25-10-4-2-3-5-11(10)26-19)12(29)8-9-13(20)15(22)17(24)16(23)14(9)21/h2-5H,6-8H2,1H3
InChIKeyZVMMCAREJCNLKL-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.35
Rot. Bonds2

About 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone (PubChem CID 16609634) has the molecular formula C19H13F5N4O and a molecular weight of 408.33 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
PubChem CID16609634
Molecular FormulaC19H13F5N4O
Molecular Weight408.33 g/mol
Exact Mass408.10
IUPAC Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
SMILESCN1CCN(C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c2nc3ccccc3nc21
InChIInChI=1S/C19H13F5N4O/c1-27-6-7-28(19-18(27)25-10-4-2-3-5-11(10)26-19)12(29)8-9-13(20)15(22)17(24)16(23)14(9)21/h2-5H,6-8H2,1H3
InChIKeyZVMMCAREJCNLKL-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone (CID 16609634) is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone is CN1CCN(C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c2nc3ccccc3nc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone?
The InChIKey is ZVMMCAREJCNLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4O/c1-27-6-7-28(19-18(27)25-10-4-2-3-5-11(10)26-19)12(29)8-9-13(20)15(22)17(24)16(23)14(9)21/h2-5H,6-8H2,1H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone?
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone has a molecular weight of 408.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone is sourced from PubChem (CID 16609634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).