[8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene

C21H26N4OSi — CID 91306663

IUPAC[8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene
SMILESCC(C)(C)[Si](C)(C)Oc1cccc2ccc(C/N=N/c3ccccn3)nc12
InChIInChI=1S/C21H26N4OSi/c1-21(2,3)27(4,5)26-18-10-8-9-16-12-13-17(24-20(16)18)15-23-25-19-11-6-7-14-22-19/h6-14H,15H2,1-5H3/b25-23+
InChIKeyMJZCTZOGHREZBM-WJTDDFOZSA-N
MW378.55 g/mol
LogP6.30
Rot. Bonds5

About [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene

[8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene (PubChem CID 91306663) has the molecular formula C21H26N4OSi and a molecular weight of 378.55 g/mol. Its IUPAC name is [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene.

Molecular Properties

Compound Name[8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene
PubChem CID91306663
Molecular FormulaC21H26N4OSi
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC Name[8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene
SMILESCC(C)(C)[Si](C)(C)Oc1cccc2ccc(C/N=N/c3ccccn3)nc12
InChIInChI=1S/C21H26N4OSi/c1-21(2,3)27(4,5)26-18-10-8-9-16-12-13-17(24-20(16)18)15-23-25-19-11-6-7-14-22-19/h6-14H,15H2,1-5H3/b25-23+
InChIKeyMJZCTZOGHREZBM-WJTDDFOZSA-N
XLogP6.30
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene?
The IUPAC name of [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene (CID 91306663) is [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene.
What is the SMILES notation for [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene?
The canonical SMILES for [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene is CC(C)(C)[Si](C)(C)Oc1cccc2ccc(C/N=N/c3ccccn3)nc12.
What is the InChIKey of [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene?
The InChIKey is MJZCTZOGHREZBM-WJTDDFOZSA-N. The full InChI is InChI=1S/C21H26N4OSi/c1-21(2,3)27(4,5)26-18-10-8-9-16-12-13-17(24-20(16)18)15-23-25-19-11-6-7-14-22-19/h6-14H,15H2,1-5H3/b25-23+.
What are the key properties of [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene?
[8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene has a molecular weight of 378.55 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene is sourced from PubChem (CID 91306663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).