N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide

C26H25N3O3 — CID 538478

IUPACN-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide
SMILESCOc1cc(NC(C)=O)c(OC)c2nc(Cc3ccccc3)c(Cc3ccccc3)nc12
InChIInChI=1S/C26H25N3O3/c1-17(30)27-22-16-23(31-2)24-25(26(22)32-3)29-21(15-19-12-8-5-9-13-19)20(28-24)14-18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,27,30)
InChIKeyCSPQPDMOORZJFM-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.79
Rot. Bonds7

About N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide

N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide (PubChem CID 538478) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide
PubChem CID538478
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide
SMILESCOc1cc(NC(C)=O)c(OC)c2nc(Cc3ccccc3)c(Cc3ccccc3)nc12
InChIInChI=1S/C26H25N3O3/c1-17(30)27-22-16-23(31-2)24-25(26(22)32-3)29-21(15-19-12-8-5-9-13-19)20(28-24)14-18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,27,30)
InChIKeyCSPQPDMOORZJFM-UHFFFAOYSA-N
XLogP4.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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CID 16030365
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide?
The IUPAC name of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide (CID 538478) is N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide.
What is the SMILES notation for N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide?
The canonical SMILES for N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide is COc1cc(NC(C)=O)c(OC)c2nc(Cc3ccccc3)c(Cc3ccccc3)nc12.
What is the InChIKey of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide?
The InChIKey is CSPQPDMOORZJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17(30)27-22-16-23(31-2)24-25(26(22)32-3)29-21(15-19-12-8-5-9-13-19)20(28-24)14-18-10-6-4-7-11-18/h4-13,16H,14-15H2,1-3H3,(H,27,30).
What are the key properties of N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide?
N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dibenzyl-5,8-dimethoxyquinoxalin-6-yl)acetamide is sourced from PubChem (CID 538478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).