N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide

C23H26N4O3 — CID 31931542

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)ccc21
InChIInChI=1S/C23H26N4O3/c1-6-27-19-11-10-17(12-18(19)24-16(4)22(27)29)23(30)26(5)13-20(28)25-21-14(2)8-7-9-15(21)3/h7-12H,6,13H2,1-5H3,(H,25,28)
InChIKeyYQKJATHZLZGYLT-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 31931542) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide
PubChem CID31931542
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide
SMILESCCn1c(=O)c(C)nc2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)ccc21
InChIInChI=1S/C23H26N4O3/c1-6-27-19-11-10-17(12-18(19)24-16(4)22(27)29)23(30)26(5)13-20(28)25-21-14(2)8-7-9-15(21)3/h7-12H,6,13H2,1-5H3,(H,25,28)
InChIKeyYQKJATHZLZGYLT-UHFFFAOYSA-N
XLogP3.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide with MolForge

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Related Compounds

1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 31563164
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091
1-ethyl-3-methyl-N-[3-(N-methylanilino)propyl]-2-oxoquinoxaline-6-carboxamide
CID 37315842
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide (CID 31931542) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)ccc21.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is YQKJATHZLZGYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-6-27-19-11-10-17(12-18(19)24-16(4)22(27)29)23(30)26(5)13-20(28)25-21-14(2)8-7-9-15(21)3/h7-12H,6,13H2,1-5H3,(H,25,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 31931542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).