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

C26H33N3O4 — CID 58656723

IUPACethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(N3CCOCC3)cc2)CC1CC
InChIInChI=1S/C26H33N3O4/c1-5-21-17-28(23-15-18(3)19(4)16-24(23)29(21)26(31)33-6-2)25(30)20-7-9-22(10-8-20)27-11-13-32-14-12-27/h7-10,15-16,21H,5-6,11-14,17H2,1-4H3
InChIKeyLZAITLCPTSAVRE-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.54
Rot. Bonds4

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

ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656723) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656723
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Nameethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(N3CCOCC3)cc2)CC1CC
InChIInChI=1S/C26H33N3O4/c1-5-21-17-28(23-15-18(3)19(4)16-24(23)29(21)26(31)33-6-2)25(30)20-7-9-22(10-8-20)27-11-13-32-14-12-27/h7-10,15-16,21H,5-6,11-14,17H2,1-4H3
InChIKeyLZAITLCPTSAVRE-UHFFFAOYSA-N
XLogP4.54
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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 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-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656612
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-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656578
ethyl 4-(2-bromo-5-methylbenzoyl)-2-(hydroxymethyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate (CID 58656723) is ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(N3CCOCC3)cc2)CC1CC.
What is the InChIKey of ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is LZAITLCPTSAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-5-21-17-28(23-15-18(3)19(4)16-24(23)29(21)26(31)33-6-2)25(30)20-7-9-22(10-8-20)27-11-13-32-14-12-27/h7-10,15-16,21H,5-6,11-14,17H2,1-4H3.
What are the key properties of ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 451.57 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6,7-dimethyl-4-(4-morpholin-4-ylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).