N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide

C24H21N3O3 — CID 541203

IUPACN-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide
SMILESCOc1cc(NC(C)=O)c(OC)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C24H21N3O3/c1-15(28)25-18-14-19(29-2)22-23(24(18)30-3)27-21(17-12-8-5-9-13-17)20(26-22)16-10-6-4-7-11-16/h4-14H,1-3H3,(H,25,28)
InChIKeyMBEHTTVQYHHOTO-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.94
Rot. Bonds5

About N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide

N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide (PubChem CID 541203) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide
PubChem CID541203
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide
SMILESCOc1cc(NC(C)=O)c(OC)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C24H21N3O3/c1-15(28)25-18-14-19(29-2)22-23(24(18)30-3)27-21(17-12-8-5-9-13-17)20(26-22)16-10-6-4-7-11-16/h4-14H,1-3H3,(H,25,28)
InChIKeyMBEHTTVQYHHOTO-UHFFFAOYSA-N
XLogP4.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide?
The IUPAC name of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide (CID 541203) is N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide.
What is the SMILES notation for N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide?
The canonical SMILES for N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide is COc1cc(NC(C)=O)c(OC)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide?
The InChIKey is MBEHTTVQYHHOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15(28)25-18-14-19(29-2)22-23(24(18)30-3)27-21(17-12-8-5-9-13-17)20(26-22)16-10-6-4-7-11-16/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide?
N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dimethoxy-2,3-diphenylquinoxalin-6-yl)acetamide is sourced from PubChem (CID 541203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).