[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate

C24H23N5O4 — CID 4798785

IUPAC[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2c(=O)c(-c3nccn3C)nc3ccccc32)cc1C
InChIInChI=1S/C24H23N5O4/c1-15-8-9-17(12-16(15)2)26-20(30)14-33-21(31)13-29-19-7-5-4-6-18(19)27-22(24(29)32)23-25-10-11-28(23)3/h4-12H,13-14H2,1-3H3,(H,26,30)
InChIKeyGMJZMZJJXLLLKM-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.60
Rot. Bonds6

About [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate (PubChem CID 4798785) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate.

Molecular Properties

Compound Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate
PubChem CID4798785
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate
SMILESCc1ccc(NC(=O)COC(=O)Cn2c(=O)c(-c3nccn3C)nc3ccccc32)cc1C
InChIInChI=1S/C24H23N5O4/c1-15-8-9-17(12-16(15)2)26-20(30)14-33-21(31)13-29-19-7-5-4-6-18(19)27-22(24(29)32)23-25-10-11-28(23)3/h4-12H,13-14H2,1-3H3,(H,26,30)
InChIKeyGMJZMZJJXLLLKM-UHFFFAOYSA-N
XLogP2.60
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate with MolForge

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Related Compounds

(4-cyanophenyl)methyl 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate
CID 4797619
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29242867
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 16543456
[2-[4-(diethylamino)anilino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 2422588
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136802
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
N-(3,4-dimethylphenyl)-2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetamide
CID 17030051
N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522524
N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474605
N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
CID 17035867

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate?
The IUPAC name of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate (CID 4798785) is [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate.
What is the SMILES notation for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate?
The canonical SMILES for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate is Cc1ccc(NC(=O)COC(=O)Cn2c(=O)c(-c3nccn3C)nc3ccccc32)cc1C.
What is the InChIKey of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate?
The InChIKey is GMJZMZJJXLLLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-8-9-17(12-16(15)2)26-20(30)14-33-21(31)13-29-19-7-5-4-6-18(19)27-22(24(29)32)23-25-10-11-28(23)3/h4-12H,13-14H2,1-3H3,(H,26,30).
What are the key properties of [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate?
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate has a molecular weight of 445.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylanilino)-2-oxoethyl] 2-[3-(1-methylimidazol-2-yl)-2-oxoquinoxalin-1-yl]acetate is sourced from PubChem (CID 4798785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).