2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

C30H34N6OSi — CID 67517091

About 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane

2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67517091) has the molecular formula C30H34N6OSi and a molecular weight of 522.73 g/mol. Its IUPAC name is 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 67517091
• Molecular Formula: C30H34N6OSi
• Molecular Weight: 522.73 g/mol
• Exact Mass: 522.26
• IUPAC Name: 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1nc2cc(-c3ccc4ncnc(N5CCc6ccccc6C5)c4c3)cnc2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C30H34N6OSi/c1-21-34-28-16-25(17-31-30(28)36(21)20-37-13-14-38(2,3)4)23-9-10-27-26(15-23)29(33-19-32-27)35-12-11-22-7-5-6-8-24(22)18-35/h5-10,15-17,19H,11-14,18,20H2,1-4H3
• InChIKey: CKROFIOGWZQUPJ-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.73
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane (CID 67517091) is 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is Cc1nc2cc(-c3ccc4ncnc(N5CCc6ccccc6C5)c4c3)cnc2n1COCC[Si](C)(C)C.

What is the InChIKey of 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is CKROFIOGWZQUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6OSi/c1-21-34-28-16-25(17-31-30(28)36(21)20-37-13-14-38(2,3)4)23-9-10-27-26(15-23)29(33-19-32-27)35-12-11-22-7-5-6-8-24(22)18-35/h5-10,15-17,19H,11-14,18,20H2,1-4H3.

What are the key properties of 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane?

2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 522.73 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67517091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).