methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate

C21H21NO5 — CID 2283451

IUPACmethyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCOCCOc1cccc2cccnc12
InChIInChI=1S/C21H21NO5/c1-24-21(23)17-8-2-3-9-18(17)26-14-12-25-13-15-27-19-10-4-6-16-7-5-11-22-20(16)19/h2-11H,12-15H2,1H3
InChIKeySHICLUJOHIPULX-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.50
Rot. Bonds9

About methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate

methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate (PubChem CID 2283451) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate
PubChem CID2283451
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Namemethyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCCOCCOc1cccc2cccnc12
InChIInChI=1S/C21H21NO5/c1-24-21(23)17-8-2-3-9-18(17)26-14-12-25-13-15-27-19-10-4-6-16-7-5-11-22-20(16)19/h2-11H,12-15H2,1H3
InChIKeySHICLUJOHIPULX-UHFFFAOYSA-N
XLogP3.50
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate 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 methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate?
The IUPAC name of methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate (CID 2283451) is methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate is COC(=O)c1ccccc1OCCOCCOc1cccc2cccnc12.
What is the InChIKey of methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate?
The InChIKey is SHICLUJOHIPULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-21(23)17-8-2-3-9-18(17)26-14-12-25-13-15-27-19-10-4-6-16-7-5-11-22-20(16)19/h2-11H,12-15H2,1H3.
What are the key properties of methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate?
methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate has a molecular weight of 367.40 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]benzoate is sourced from PubChem (CID 2283451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).