ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate

C28H25N3O7 — CID 156705092

IUPACethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C(=O)COC)c4ccccc43)cc12
InChIInChI=1S/C28H25N3O7/c1-3-36-28(34)21-16-37-24-9-8-18(14-19(21)24)38-25-10-11-29-15-20(25)27(33)31-13-12-30(26(32)17-35-2)22-6-4-5-7-23(22)31/h4-11,14-16H,3,12-13,17H2,1-2H3
InChIKeyBUEVMYZQWJTROH-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.44
Rot. Bonds7

About ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate

ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (PubChem CID 156705092) has the molecular formula C28H25N3O7 and a molecular weight of 515.52 g/mol. Its IUPAC name is ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
PubChem CID156705092
Molecular FormulaC28H25N3O7
Molecular Weight515.52 g/mol
Exact Mass515.17
IUPAC Nameethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C(=O)COC)c4ccccc43)cc12
InChIInChI=1S/C28H25N3O7/c1-3-36-28(34)21-16-37-24-9-8-18(14-19(21)24)38-25-10-11-29-15-20(25)27(33)31-13-12-30(26(32)17-35-2)22-6-4-5-7-23(22)31/h4-11,14-16H,3,12-13,17H2,1-2H3
InChIKeyBUEVMYZQWJTROH-UHFFFAOYSA-N
XLogP4.44
TPSA111.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (CID 156705092) is ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is CCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C(=O)COC)c4ccccc43)cc12.
What is the InChIKey of ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The InChIKey is BUEVMYZQWJTROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O7/c1-3-36-28(34)21-16-37-24-9-8-18(14-19(21)24)38-25-10-11-29-15-20(25)27(33)31-13-12-30(26(32)17-35-2)22-6-4-5-7-23(22)31/h4-11,14-16H,3,12-13,17H2,1-2H3.
What are the key properties of ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate has a molecular weight of 515.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-[4-(2-methoxyacetyl)-2,3-dihydroquinoxaline-1-carbonyl]-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 156705092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).