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

C25H32N2O3 — CID 58656569

IUPACethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCCc1ccc(C(=O)N2CC(CC)N(C(=O)OCC)c3cc(C)c(C)cc32)cc1
InChIInChI=1S/C25H32N2O3/c1-6-9-19-10-12-20(13-11-19)24(28)26-16-21(7-2)27(25(29)30-8-3)23-15-18(5)17(4)14-22(23)26/h10-15,21H,6-9,16H2,1-5H3
InChIKeyRUWDOQKVAALUIB-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.66
Rot. Bonds5

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

ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656569) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656569
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Nameethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCCc1ccc(C(=O)N2CC(CC)N(C(=O)OCC)c3cc(C)c(C)cc32)cc1
InChIInChI=1S/C25H32N2O3/c1-6-9-19-10-12-20(13-11-19)24(28)26-16-21(7-2)27(25(29)30-8-3)23-15-18(5)17(4)14-22(23)26/h10-15,21H,6-9,16H2,1-5H3
InChIKeyRUWDOQKVAALUIB-UHFFFAOYSA-N
XLogP5.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656887
ethyl 2-ethyl-6,7-dimethyl-4-(4-methylsulfanylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656767
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 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656548
ethyl 2-ethyl-4-[2-[ethyl(phenyl)carbamoyl]benzoyl]-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 90865872
ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656864
ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate (CID 58656569) is ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate is CCCc1ccc(C(=O)N2CC(CC)N(C(=O)OCC)c3cc(C)c(C)cc32)cc1.
What is the InChIKey of ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is RUWDOQKVAALUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-6-9-19-10-12-20(13-11-19)24(28)26-16-21(7-2)27(25(29)30-8-3)23-15-18(5)17(4)14-22(23)26/h10-15,21H,6-9,16H2,1-5H3.
What are the key properties of ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 408.54 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).