tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane

C26H32ClN3O2Si — CID 66649907

IUPACtert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1c(CCl)nc2cnc3cc(OCc4ccccc4)ccc3c21
InChIInChI=1S/C26H32ClN3O2Si/c1-26(2,3)33(4,5)32-14-13-30-24(16-27)29-23-17-28-22-15-20(11-12-21(22)25(23)30)31-18-19-9-7-6-8-10-19/h6-12,15,17H,13-14,16,18H2,1-5H3
InChIKeyGAJSHCXZTQFIIS-UHFFFAOYSA-N
MW482.10 g/mol
LogP6.92
Rot. Bonds8

About tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane (PubChem CID 66649907) has the molecular formula C26H32ClN3O2Si and a molecular weight of 482.10 g/mol. Its IUPAC name is tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane
PubChem CID66649907
Molecular FormulaC26H32ClN3O2Si
Molecular Weight482.10 g/mol
Exact Mass481.20
IUPAC Nametert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1c(CCl)nc2cnc3cc(OCc4ccccc4)ccc3c21
InChIInChI=1S/C26H32ClN3O2Si/c1-26(2,3)33(4,5)32-14-13-30-24(16-27)29-23-17-28-22-15-20(11-12-21(22)25(23)30)31-18-19-9-7-6-8-10-19/h6-12,15,17H,13-14,16,18H2,1-5H3
InChIKeyGAJSHCXZTQFIIS-UHFFFAOYSA-N
XLogP6.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.10
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane (CID 66649907) is tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1c(CCl)nc2cnc3cc(OCc4ccccc4)ccc3c21.
What is the InChIKey of tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane?
The InChIKey is GAJSHCXZTQFIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2Si/c1-26(2,3)33(4,5)32-14-13-30-24(16-27)29-23-17-28-22-15-20(11-12-21(22)25(23)30)31-18-19-9-7-6-8-10-19/h6-12,15,17H,13-14,16,18H2,1-5H3.
What are the key properties of tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane has a molecular weight of 482.10 g/mol, XLogP of 6.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 66649907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).