[4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane

C29H34N2OSi — CID 102154881

IUPAC[4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2nc(CCc3ccccc3)nc(Cc3ccccc3)c2c1
InChIInChI=1S/C29H34N2OSi/c1-29(2,3)33(4,5)32-24-17-18-26-25(21-24)27(20-23-14-10-7-11-15-23)31-28(30-26)19-16-22-12-8-6-9-13-22/h6-15,17-18,21H,16,19-20H2,1-5H3
InChIKeyHSMDGTGVKLALMO-UHFFFAOYSA-N
MW454.69 g/mol
LogP7.39
Rot. Bonds7

About [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane

[4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102154881) has the molecular formula C29H34N2OSi and a molecular weight of 454.69 g/mol. Its IUPAC name is [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102154881
Molecular FormulaC29H34N2OSi
Molecular Weight454.69 g/mol
Exact Mass454.24
IUPAC Name[4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2nc(CCc3ccccc3)nc(Cc3ccccc3)c2c1
InChIInChI=1S/C29H34N2OSi/c1-29(2,3)33(4,5)32-24-17-18-26-25(21-24)27(20-23-14-10-7-11-15-23)31-28(30-26)19-16-22-12-8-6-9-13-22/h6-15,17-18,21H,16,19-20H2,1-5H3
InChIKeyHSMDGTGVKLALMO-UHFFFAOYSA-N
XLogP7.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.69
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane (CID 102154881) is [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2nc(CCc3ccccc3)nc(Cc3ccccc3)c2c1.
What is the InChIKey of [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HSMDGTGVKLALMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2OSi/c1-29(2,3)33(4,5)32-24-17-18-26-25(21-24)27(20-23-14-10-7-11-15-23)31-28(30-26)19-16-22-12-8-6-9-13-22/h6-15,17-18,21H,16,19-20H2,1-5H3.
What are the key properties of [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane?
[4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 454.69 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-2-(2-phenylethyl)quinazolin-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102154881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).