4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane

C66H80BIN12O4Si2 — CID 157361373

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane (PubChem CID 157361373) has the molecular formula C66H80BIN12O4Si2 and a molecular weight of 1299.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane
• PubChem CID: 157361373
• Molecular Formula: C66H80BIN12O4Si2
• Molecular Weight: 1299.33 g/mol
• Exact Mass: 1298.51
• IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane
• SMILES: Cc1nc2cc(-c3ccc4ncnc(N5CCc6ccccc6C5)c4c3)cnc2n1COCC[Si](C)(C)C.Cc1nc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1COCC[Si](C)(C)C.Ic1ccc2ncnc(N3CCc4ccccc4C3)c2c1
• InChI: InChI=1S/C30H34N6OSi.C19H32BN3O3Si.C17H14IN3/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;1-14-22-16-11-15(20-25-18(2,3)19(4,5)26-20)12-21-17(16)23(14)13-24-9-10-27(6,7)8;18-14-5-6-16-15(9-14)17(20-11-19-16)21-8-7-12-3-1-2-4-13(12)10-21/h5-10,15-17,19H,11-14,18,20H2,1-4H3;11-12H,9-10,13H2,1-8H3;1-6,9,11H,7-8,10H2
• InChIKey: BIRHGELFMVKJMB-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 156.38 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.33
LogP ≤ 5	13.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane?

The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane (CID 157361373) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane.

What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane?

The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane is Cc1nc2cc(-c3ccc4ncnc(N5CCc6ccccc6C5)c4c3)cnc2n1COCC[Si](C)(C)C.Cc1nc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1COCC[Si](C)(C)C.Ic1ccc2ncnc(N3CCc4ccccc4C3)c2c1.

What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane?

The InChIKey is BIRHGELFMVKJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6OSi.C19H32BN3O3Si.C17H14IN3/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;1-14-22-16-11-15(20-25-18(2,3)19(4,5)26-20)12-21-17(16)23(14)13-24-9-10-27(6,7)8;18-14-5-6-16-15(9-14)17(20-11-19-16)21-8-7-12-3-1-2-4-13(12)10-21/h5-10,15-17,19H,11-14,18,20H2,1-4H3;11-12H,9-10,13H2,1-8H3;1-6,9,11H,7-8,10H2.

What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane?

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane has a molecular weight of 1299.33 g/mol, XLogP of 13.37, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-iodoquinazoline;2-[[6-[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-6-yl]-2-methylimidazo[4,5-b]pyridin-3-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-3-yl]methoxy]ethyl]silane is sourced from PubChem (CID 157361373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).