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

C30H29N3O7 — CID 156705085

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

2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (PubChem CID 156705085) has the molecular formula C30H29N3O7 and a molecular weight of 543.58 g/mol. Its IUPAC name is 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
• PubChem CID: 156705085
• Molecular Formula: C30H29N3O7
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.20
• IUPAC Name: 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
• SMILES: COCCOCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12
• InChI: InChI=1S/C30H29N3O7/c1-36-14-15-37-19-39-30(35)24-18-38-27-9-8-21(16-22(24)27)40-28-10-11-31-17-23(28)29(34)33-13-12-32(20-6-7-20)25-4-2-3-5-26(25)33/h2-5,8-11,16-18,20H,6-7,12-15,19H2,1H3
• InChIKey: SGVIYGVVOOCNSC-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 103.57 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?

The IUPAC name of 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (CID 156705085) is 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.

What is the SMILES notation for 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?

The canonical SMILES for 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is COCCOCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12.

What is the InChIKey of 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?

The InChIKey is SGVIYGVVOOCNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O7/c1-36-14-15-37-19-39-30(35)24-18-38-27-9-8-21(16-22(24)27)40-28-10-11-31-17-23(28)29(34)33-13-12-32(20-6-7-20)25-4-2-3-5-26(25)33/h2-5,8-11,16-18,20H,6-7,12-15,19H2,1H3.

What are the key properties of 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?

2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate has a molecular weight of 543.58 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethoxymethyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 156705085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).