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

C26H20N2O6 — CID 135017130

IUPACmethyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3OC(C)=O)c(-c3ccccc3OC(C)=O)nc2c1
InChIInChI=1S/C26H20N2O6/c1-15(29)33-22-10-6-4-8-18(22)24-25(19-9-5-7-11-23(19)34-16(2)30)28-21-14-17(26(31)32-3)12-13-20(21)27-24/h4-14H,1-3H3
InChIKeyURZKXFFFJYBALH-UHFFFAOYSA-N
MW456.45 g/mol
LogP4.60
Rot. Bonds5

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

methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate (PubChem CID 135017130) has the molecular formula C26H20N2O6 and a molecular weight of 456.45 g/mol. Its IUPAC name is methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
PubChem CID135017130
Molecular FormulaC26H20N2O6
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Namemethyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3OC(C)=O)c(-c3ccccc3OC(C)=O)nc2c1
InChIInChI=1S/C26H20N2O6/c1-15(29)33-22-10-6-4-8-18(22)24-25(19-9-5-7-11-23(19)34-16(2)30)28-21-14-17(26(31)32-3)12-13-20(21)27-24/h4-14H,1-3H3
InChIKeyURZKXFFFJYBALH-UHFFFAOYSA-N
XLogP4.60
TPSA104.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
methyl phenazine-2-carboxylate
CID 617185
methyl 4-(2-acetyloxyphenyl)naphthalene-2-carboxylate
CID 154942920
sodium;2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;methyl 2-(2-methoxyphenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate;hydroxide
CID 158584817
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 3-acetyloxybenzoate
CID 577969
dimethyl 5-(2,3-dimethylquinoxaline-6-carbonyl)oxybenzene-1,3-dicarboxylate
CID 9456451
methyl 7-chlorophenazine-2-carboxylate
CID 154715967
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
CID 986664
2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
CID 1154611
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate (CID 135017130) is methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3OC(C)=O)c(-c3ccccc3OC(C)=O)nc2c1.
What is the InChIKey of methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate?
The InChIKey is URZKXFFFJYBALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O6/c1-15(29)33-22-10-6-4-8-18(22)24-25(19-9-5-7-11-23(19)34-16(2)30)28-21-14-17(26(31)32-3)12-13-20(21)27-24/h4-14H,1-3H3.
What are the key properties of methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate?
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate has a molecular weight of 456.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 135017130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).