methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate

C22H14F2N2O2 — CID 5127751

IUPACmethyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C22H14F2N2O2/c1-28-22(27)15-8-9-18-19(12-15)26-21(14-5-3-7-17(24)11-14)20(25-18)13-4-2-6-16(23)10-13/h2-12H,1H3
InChIKeyDHDHQCSADURXGA-UHFFFAOYSA-N
MW376.36 g/mol
LogP5.03
Rot. Bonds3

About methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate

methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate (PubChem CID 5127751) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
PubChem CID5127751
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Namemethyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C22H14F2N2O2/c1-28-22(27)15-8-9-18-19(12-15)26-21(14-5-3-7-17(24)11-14)20(25-18)13-4-2-6-16(23)10-13/h2-12H,1H3
InChIKeyDHDHQCSADURXGA-UHFFFAOYSA-N
XLogP5.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
CID 5127746
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
methyl 3-fluorobenzoate
CID 521184
(3-fluorophenyl)boronic acid;methyl 2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;methyl 2-(3-fluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
CID 158870063
methyl phenazine-2-carboxylate
CID 617185
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
CID 70664870
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
CID 86718142
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
methyl 7-chlorophenazine-2-carboxylate
CID 154715967

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate (CID 5127751) is methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)nc2c1.
What is the InChIKey of methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate?
The InChIKey is DHDHQCSADURXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c1-28-22(27)15-8-9-18-19(12-15)26-21(14-5-3-7-17(24)11-14)20(25-18)13-4-2-6-16(23)10-13/h2-12H,1H3.
What are the key properties of methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate?
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate has a molecular weight of 376.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 5127751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).