N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide

C19H19N3O3 — CID 5298400

IUPACN-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C19H19N3O3/c1-11-12(2)21-15-10-13(8-9-14(15)20-11)22-19(23)18-16(24-3)6-5-7-17(18)25-4/h5-10H,1-4H3,(H,22,23)
InChIKeyWIHGRLJFGOEJIY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.52
Rot. Bonds4

About N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide

N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide (PubChem CID 5298400) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide
PubChem CID5298400
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C19H19N3O3/c1-11-12(2)21-15-10-13(8-9-14(15)20-11)22-19(23)18-16(24-3)6-5-7-17(18)25-4/h5-10H,1-4H3,(H,22,23)
InChIKeyWIHGRLJFGOEJIY-UHFFFAOYSA-N
XLogP3.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide (CID 5298400) is N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide?
The InChIKey is WIHGRLJFGOEJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-12(2)21-15-10-13(8-9-14(15)20-11)22-19(23)18-16(24-3)6-5-7-17(18)25-4/h5-10H,1-4H3,(H,22,23).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide?
N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 5298400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).