ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

C24H28N2O4 — CID 58656887

IUPACethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(C(C)=O)cc2)CC1CC
InChIInChI=1S/C24H28N2O4/c1-6-20-14-25(23(28)19-10-8-18(9-11-19)17(5)27)21-12-15(3)16(4)13-22(21)26(20)24(29)30-7-2/h8-13,20H,6-7,14H2,1-5H3
InChIKeyHEOSURCJMQLBBK-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.91
Rot. Bonds4

About ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656887) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656887
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Nameethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(C(C)=O)cc2)CC1CC
InChIInChI=1S/C24H28N2O4/c1-6-20-14-25(23(28)19-10-8-18(9-11-19)17(5)27)21-12-15(3)16(4)13-22(21)26(20)24(29)30-7-2/h8-13,20H,6-7,14H2,1-5H3
InChIKeyHEOSURCJMQLBBK-UHFFFAOYSA-N
XLogP4.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate with MolForge

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Related Compounds

ethyl 2-ethyl-6,7-dimethyl-4-(4-methylsulfanylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656767
ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656569
ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656723
ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656854
ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656564
ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656957
ethyl 4-(2-chloro-3-methylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656720
ethyl 4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzoyl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945267
ethyl 4-(2-bromo-5-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656557
ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656548
ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656864
ethyl 2-ethyl-4-[2-[ethyl(phenyl)carbamoyl]benzoyl]-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 90865872

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (CID 58656887) is ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(C(C)=O)cc2)CC1CC.
What is the InChIKey of ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is HEOSURCJMQLBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-6-20-14-25(23(28)19-10-8-18(9-11-19)17(5)27)21-12-15(3)16(4)13-22(21)26(20)24(29)30-7-2/h8-13,20H,6-7,14H2,1-5H3.
What are the key properties of ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).