ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate

C20H29NO4Si — CID 174075073

IUPACethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate
SMILESCCOC(=O)c1c(OCCCOCC[Si](C)(C)C)ccc2cccnc12
InChIInChI=1S/C20H29NO4Si/c1-5-24-20(22)18-17(10-9-16-8-6-11-21-19(16)18)25-13-7-12-23-14-15-26(2,3)4/h6,8-11H,5,7,12-15H2,1-4H3
InChIKeyZVALUMKJCIRXON-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.54
Rot. Bonds10

About ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate

ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate (PubChem CID 174075073) has the molecular formula C20H29NO4Si and a molecular weight of 375.54 g/mol. Its IUPAC name is ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate
PubChem CID174075073
Molecular FormulaC20H29NO4Si
Molecular Weight375.54 g/mol
Exact Mass375.19
IUPAC Nameethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate
SMILESCCOC(=O)c1c(OCCCOCC[Si](C)(C)C)ccc2cccnc12
InChIInChI=1S/C20H29NO4Si/c1-5-24-20(22)18-17(10-9-16-8-6-11-21-19(16)18)25-13-7-12-23-14-15-26(2,3)4/h6,8-11H,5,7,12-15H2,1-4H3
InChIKeyZVALUMKJCIRXON-UHFFFAOYSA-N
XLogP4.54
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095
ethyl 8-butoxyquinoline-5-carboxylate
CID 96709879
7-methoxyquinoline-8-carboxylic acid
CID 68774583
ethyl 3-aminopyridine-2-carboxylate
CID 565054
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 5-methyl-2-quinolin-8-yl-1,3-thiazole-4-carboxylate
CID 116526054
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate?
The IUPAC name of ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate (CID 174075073) is ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate?
The canonical SMILES for ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate is CCOC(=O)c1c(OCCCOCC[Si](C)(C)C)ccc2cccnc12.
What is the InChIKey of ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate?
The InChIKey is ZVALUMKJCIRXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4Si/c1-5-24-20(22)18-17(10-9-16-8-6-11-21-19(16)18)25-13-7-12-23-14-15-26(2,3)4/h6,8-11H,5,7,12-15H2,1-4H3.
What are the key properties of ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate?
ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate has a molecular weight of 375.54 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[3-(2-trimethylsilylethoxy)propoxy]quinoline-8-carboxylate is sourced from PubChem (CID 174075073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).