2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate

C28H33N7O3Si — CID 123456652

About 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate

2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate (PubChem CID 123456652) has the molecular formula C28H33N7O3Si and a molecular weight of 543.70 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate
• PubChem CID: 123456652
• Molecular Formula: C28H33N7O3Si
• Molecular Weight: 543.70 g/mol
• Exact Mass: 543.24
• IUPAC Name: 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate
• SMILES: [H]/N=N/CC(/N=C/OCC[Si](C)(C)C)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1OC
• InChI: InChI=1S/C28H33N7O3Si/c1-37-26-22(25(17-33-30)32-18-38-12-13-39(2,3)4)15-20(16-31-26)19-10-11-24-23(14-19)27(36)35(28(29)34-24)21-8-6-5-7-9-21/h5-11,14-16,18,25,30H,12-13,17H2,1-4H3,(H2,29,34)/b32-18+,33-30+
• InChIKey: ASBKHJFNJCHNFR-LRKHWXJGSA-N
• XLogP: 5.49
• TPSA: 140.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.70
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate?

The IUPAC name of 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate (CID 123456652) is 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate.

What is the SMILES notation for 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate?

The canonical SMILES for 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate is [H]/N=N/CC(/N=C/OCC[Si](C)(C)C)c1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1OC.

What is the InChIKey of 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate?

The InChIKey is ASBKHJFNJCHNFR-LRKHWXJGSA-N. The full InChI is InChI=1S/C28H33N7O3Si/c1-37-26-22(25(17-33-30)32-18-38-12-13-39(2,3)4)15-20(16-31-26)19-10-11-24-23(14-19)27(36)35(28(29)34-24)21-8-6-5-7-9-21/h5-11,14-16,18,25,30H,12-13,17H2,1-4H3,(H2,29,34)/b32-18+,33-30+.

What are the key properties of 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate?

2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate has a molecular weight of 543.70 g/mol, XLogP of 5.49, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl N-[1-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2-diazenylethyl]methanimidate is sourced from PubChem (CID 123456652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).