tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

C34H46ClN7O4Si — CID 175800363

About tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (PubChem CID 175800363) has the molecular formula C34H46ClN7O4Si and a molecular weight of 680.33 g/mol. Its IUPAC name is tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
• PubChem CID: 175800363
• Molecular Formula: C34H46ClN7O4Si
• Molecular Weight: 680.33 g/mol
• Exact Mass: 679.31
• IUPAC Name: tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
• SMILES: Cc1nc2ccc(-c3cn(COCC[Si](C)(C)C)c4nc(N5C6CCC5CC(NC(=O)OC(C)(C)C)C6)cnc34)c(Cl)c2c(=O)n1C
• InChI: InChI=1S/C34H46ClN7O4Si/c1-20-37-26-12-11-24(29(35)28(26)32(43)40(20)5)25-18-41(19-45-13-14-47(6,7)8)31-30(25)36-17-27(39-31)42-22-9-10-23(42)16-21(15-22)38-33(44)46-34(2,3)4/h11-12,17-18,21-23H,9-10,13-16,19H2,1-8H3,(H,38,44)
• InChIKey: VBFXRZUDYVBLEM-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 116.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.33
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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 tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

The IUPAC name of tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate (CID 175800363) is tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate is Cc1nc2ccc(-c3cn(COCC[Si](C)(C)C)c4nc(N5C6CCC5CC(NC(=O)OC(C)(C)C)C6)cnc34)c(Cl)c2c(=O)n1C.

What is the InChIKey of tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

The InChIKey is VBFXRZUDYVBLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46ClN7O4Si/c1-20-37-26-12-11-24(29(35)28(26)32(43)40(20)5)25-18-41(19-45-13-14-47(6,7)8)31-30(25)36-17-27(39-31)42-22-9-10-23(42)16-21(15-22)38-33(44)46-34(2,3)4/h11-12,17-18,21-23H,9-10,13-16,19H2,1-8H3,(H,38,44).

What are the key properties of tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate?

tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate has a molecular weight of 680.33 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[8-[7-(5-chloro-2,3-dimethyl-4-oxoquinazolin-6-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate is sourced from PubChem (CID 175800363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).