N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide

C21H23N3O2 — CID 134054596

IUPACN-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C21H23N3O2/c1-13-14(2)23-19-12-16(10-11-18(19)22-13)21(25)24(4)15(3)17-8-6-7-9-20(17)26-5/h6-12,15H,1-5H3
InChIKeyQGEBLKUJFSQPTA-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.09
Rot. Bonds4

About N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide (PubChem CID 134054596) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
PubChem CID134054596
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C21H23N3O2/c1-13-14(2)23-19-12-16(10-11-18(19)22-13)21(25)24(4)15(3)17-8-6-7-9-20(17)26-5/h6-12,15H,1-5H3
InChIKeyQGEBLKUJFSQPTA-UHFFFAOYSA-N
XLogP4.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
4-benzamido-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 42953411
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39687761
N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 46591480
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134054636
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide (CID 134054596) is N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
The InChIKey is QGEBLKUJFSQPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-14(2)23-19-12-16(10-11-18(19)22-13)21(25)24(4)15(3)17-8-6-7-9-20(17)26-5/h6-12,15H,1-5H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 134054596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).