tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane

C26H32ClN5O3Si — CID 175778687

IUPACtert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(Cn2nnc(C(COc3cc4ccccc4nc3Cl)O[Si](C)(C)C(C)(C)C)n2)cc1
InChIInChI=1S/C26H32ClN5O3Si/c1-26(2,3)36(5,6)35-23(17-34-22-15-19-9-7-8-10-21(19)28-24(22)27)25-29-31-32(30-25)16-18-11-13-20(33-4)14-12-18/h7-15,23H,16-17H2,1-6H3
InChIKeyZDFHCPCMFCYGLR-UHFFFAOYSA-N
MW526.11 g/mol
LogP6.07
Rot. Bonds9

About tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane

tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane (PubChem CID 175778687) has the molecular formula C26H32ClN5O3Si and a molecular weight of 526.11 g/mol. Its IUPAC name is tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane
PubChem CID175778687
Molecular FormulaC26H32ClN5O3Si
Molecular Weight526.11 g/mol
Exact Mass525.20
IUPAC Nametert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane
SMILESCOc1ccc(Cn2nnc(C(COc3cc4ccccc4nc3Cl)O[Si](C)(C)C(C)(C)C)n2)cc1
InChIInChI=1S/C26H32ClN5O3Si/c1-26(2,3)36(5,6)35-23(17-34-22-15-19-9-7-8-10-21(19)28-24(22)27)25-29-31-32(30-25)16-18-11-13-20(33-4)14-12-18/h7-15,23H,16-17H2,1-6H3
InChIKeyZDFHCPCMFCYGLR-UHFFFAOYSA-N
XLogP6.07
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.11
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane (CID 175778687) is tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane is COc1ccc(Cn2nnc(C(COc3cc4ccccc4nc3Cl)O[Si](C)(C)C(C)(C)C)n2)cc1.
What is the InChIKey of tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane?
The InChIKey is ZDFHCPCMFCYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O3Si/c1-26(2,3)36(5,6)35-23(17-34-22-15-19-9-7-8-10-21(19)28-24(22)27)25-29-31-32(30-25)16-18-11-13-20(33-4)14-12-18/h7-15,23H,16-17H2,1-6H3.
What are the key properties of tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane has a molecular weight of 526.11 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-chloroquinolin-3-yl)oxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 175778687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).