2-ethoxyethyl 2-quinolin-8-yloxyacetate

C15H17NO4 — CID 71408852

IUPAC2-ethoxyethyl 2-quinolin-8-yloxyacetate
SMILESCCOCCOC(=O)COc1cccc2cccnc12
InChIInChI=1S/C15H17NO4/c1-2-18-9-10-19-14(17)11-20-13-7-3-5-12-6-4-8-16-15(12)13/h3-8H,2,9-11H2,1H3
InChIKeyWWBRBDARWRGLQY-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.19
Rot. Bonds7

About 2-ethoxyethyl 2-quinolin-8-yloxyacetate

2-ethoxyethyl 2-quinolin-8-yloxyacetate (PubChem CID 71408852) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-ethoxyethyl 2-quinolin-8-yloxyacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-quinolin-8-yloxyacetate
PubChem CID71408852
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-ethoxyethyl 2-quinolin-8-yloxyacetate
SMILESCCOCCOC(=O)COc1cccc2cccnc12
InChIInChI=1S/C15H17NO4/c1-2-18-9-10-19-14(17)11-20-13-7-3-5-12-6-4-8-16-15(12)13/h3-8H,2,9-11H2,1H3
InChIKeyWWBRBDARWRGLQY-UHFFFAOYSA-N
XLogP2.19
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
2-chloroethyl 2-quinolin-8-yloxyacetate
CID 71408832
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
2-quinolin-8-yloxyacetate
CID 6950984
2-ethoxyethyl 2-(2-tert-butylphenoxy)acetate
CID 78832274
[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
CID 71320098
(2-oxo-2-thiophen-2-ylethyl) 2-quinolin-8-yloxyacetate
CID 2395878
3-ethoxy-N-(2-quinolin-8-yloxyethyl)propan-1-amine
CID 62598028
N-(2,2-dimethylpropyl)-2-quinolin-8-yloxyacetamide
CID 99820790
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-methoxyacetate
CID 71320086
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-quinolin-8-yloxyacetate?
The IUPAC name of 2-ethoxyethyl 2-quinolin-8-yloxyacetate (CID 71408852) is 2-ethoxyethyl 2-quinolin-8-yloxyacetate.
What is the SMILES notation for 2-ethoxyethyl 2-quinolin-8-yloxyacetate?
The canonical SMILES for 2-ethoxyethyl 2-quinolin-8-yloxyacetate is CCOCCOC(=O)COc1cccc2cccnc12.
What is the InChIKey of 2-ethoxyethyl 2-quinolin-8-yloxyacetate?
The InChIKey is WWBRBDARWRGLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-18-9-10-19-14(17)11-20-13-7-3-5-12-6-4-8-16-15(12)13/h3-8H,2,9-11H2,1H3.
What are the key properties of 2-ethoxyethyl 2-quinolin-8-yloxyacetate?
2-ethoxyethyl 2-quinolin-8-yloxyacetate has a molecular weight of 275.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-quinolin-8-yloxyacetate is sourced from PubChem (CID 71408852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).