ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

C26H30N2O5 — CID 58656612

IUPACethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc3cccc(OCC)c3o2)CC1CC
InChIInChI=1S/C26H30N2O5/c1-6-19-15-27(20-12-16(4)17(5)13-21(20)28(19)26(30)32-8-3)25(29)23-14-18-10-9-11-22(31-7-2)24(18)33-23/h9-14,19H,6-8,15H2,1-5H3
InChIKeyGQZFTMUWVAXERB-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.85
Rot. Bonds5

About ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656612) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656612
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Nameethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc3cccc(OCC)c3o2)CC1CC
InChIInChI=1S/C26H30N2O5/c1-6-19-15-27(20-12-16(4)17(5)13-21(20)28(19)26(30)32-8-3)25(29)23-14-18-10-9-11-22(31-7-2)24(18)33-23/h9-14,19H,6-8,15H2,1-5H3
InChIKeyGQZFTMUWVAXERB-UHFFFAOYSA-N
XLogP5.85
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (CID 58656612) is ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc3cccc(OCC)c3o2)CC1CC.
What is the InChIKey of ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is GQZFTMUWVAXERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-6-19-15-27(20-12-16(4)17(5)13-21(20)28(19)26(30)32-8-3)25(29)23-14-18-10-9-11-22(31-7-2)24(18)33-23/h9-14,19H,6-8,15H2,1-5H3.
What are the key properties of ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).