Acetamide, N-(2-(3-nitro-4-(1-piperidinyl)phenyl)-4-oxo-3(4H)-quinazolinyl)-2-(4-((2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)-

Base Information

• Chemical Name: Acetamide, N-(2-(3-nitro-4-(1-piperidinyl)phenyl)-4-oxo-3(4H)-quinazolinyl)-2-(4-((2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)-
• CAS No.: 136603-28-6
• Molecular Formula: C₄₂H₃₃N₇O₆
• Molecular Weight: 731.767
• DSSTox Substance ID: DTXSID10159851
• Wikidata: Q83028228
• Mol file: 136603-28-6.mol

Synonyms:BRN 4900422;Acetamide, N-(2-(3-nitro-4-(1-piperidinyl)phenyl)-4-oxo-3(4H)-quinazolinyl)-2-(4-((2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)-;136603-28-6;DTXSID10159851;C42H33N7O6;C42-H33-N7-O6

Chemical Property of Acetamide, N-(2-(3-nitro-4-(1-piperidinyl)phenyl)-4-oxo-3(4H)-quinazolinyl)-2-(4-((2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)-

Chemical Property:

• Density: 1.4g/cm³
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 731.24923180
• Heavy Atom Count: 55
• Complexity: 1400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3NC(=O)COC5=CC=C(C=C5)C(=O)C6=C(N=C7C(=C6)C=CC=N7)C8=CC=CC=C8)[N+](=O)[O-]

Technology Process of Acetamide, N-(2-(3-nitro-4-(1-piperidinyl)phenyl)-4-oxo-3(4H)-quinazolinyl)-2-(4-((2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)-

There total 5 articles about Acetamide, N-(2-(3-nitro-4-(1-piperidinyl)phenyl)-4-oxo-3(4H)-quinazolinyl)-2-(4-((2-phenyl-1,8-naphthyridin-3-yl)carbonyl)phenoxy)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-Aminonicotinaldehyde (7521-41-7) → N-[2-(3-Nitro-4-piperidin-1-yl-phenyl)-4-oxo-4H-quinazolin-3-yl]-2-[4-(2-phenyl-[1,8]naphthyridine-3-carbonyl)-phenoxy]-acetamide (136603-28-6)

Guidance literature:

Multi-step reaction with 5 steps

1: conc. H₂SO₄, glac. AcOH

2: 65 percent / K₂CO₃ / acetone / 18 h / Heating

3: 60 percent / hydrazine hydrate / methanol / 8 h / Heating

4: 60 percent / 1) heating, 2 min, 2) CH₃OH, r.t., overnight

5: pyridine / 24 h / Heating

With pyridine; sulfuric acid; potassium carbonate; hydrazine hydrate; acetic acid; In methanol; acetone;

Reference yield:

1-(4-hydroxy-phenyl)-3-phenyl-propane-1,3-dione (52046-71-6) → N-[2-(3-Nitro-4-piperidin-1-yl-phenyl)-4-oxo-4H-quinazolin-3-yl]-2-[4-(2-phenyl-[1,8]naphthyridine-3-carbonyl)-phenoxy]-acetamide (136603-28-6)

Guidance literature:

Multi-step reaction with 5 steps

1: conc. H₂SO₄, glac. AcOH

2: 65 percent / K₂CO₃ / acetone / 18 h / Heating

3: 60 percent / hydrazine hydrate / methanol / 8 h / Heating

4: 60 percent / 1) heating, 2 min, 2) CH₃OH, r.t., overnight

5: pyridine / 24 h / Heating

With pyridine; sulfuric acid; potassium carbonate; hydrazine hydrate; acetic acid; In methanol; acetone;

Reference yield:

3-p-Hydroxybenzoyl-2-phenyl-1,8-naphthyridine (116625-85-5) → N-[2-(3-Nitro-4-piperidin-1-yl-phenyl)-4-oxo-4H-quinazolin-3-yl]-2-[4-(2-phenyl-[1,8]naphthyridine-3-carbonyl)-phenoxy]-acetamide (136603-28-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 65 percent / K₂CO₃ / acetone / 18 h / Heating

2: 60 percent / hydrazine hydrate / methanol / 8 h / Heating

3: 60 percent / 1) heating, 2 min, 2) CH₃OH, r.t., overnight

4: pyridine / 24 h / Heating

With pyridine; potassium carbonate; hydrazine hydrate; In methanol; acetone;

upstream raw materials:

piperidine

N-[2-(4-Chloro-3-nitro-phenyl)-4-oxo-4H-quinazolin-3-yl]-2-[4-(2-phenyl-[1,8]naphthyridine-3-carbonyl)-phenoxy]-acetamide

2-Aminonicotinaldehyde

1-(4-hydroxy-phenyl)-3-phenyl-propane-1,3-dione