ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate

C16H20N2O3 — CID 103258791

IUPACethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCc1cccc2cccnc12
InChIInChI=1S/C16H20N2O3/c1-2-21-15(19)12-20-10-9-17-11-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,17H,2,9-12H2,1H3
InChIKeyZGHAURUQIQWURT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.90
Rot. Bonds8

About ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate

ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate (PubChem CID 103258791) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
PubChem CID103258791
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCc1cccc2cccnc12
InChIInChI=1S/C16H20N2O3/c1-2-21-15(19)12-20-10-9-17-11-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,17H,2,9-12H2,1H3
InChIKeyZGHAURUQIQWURT-UHFFFAOYSA-N
XLogP1.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
ethyl 2-quinolin-8-ylacetate
CID 52562898
ethyl 2-[2-[(2-chlorophenyl)methylamino]ethoxy]acetate
CID 103232927
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
1-ethoxy-2-(quinolin-8-ylmethylamino)ethanol
CID 169240625
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate (CID 103258791) is ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate is CCOC(=O)COCCNCc1cccc2cccnc12.
What is the InChIKey of ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate?
The InChIKey is ZGHAURUQIQWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-21-15(19)12-20-10-9-17-11-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,17H,2,9-12H2,1H3.
What are the key properties of ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate?
ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate has a molecular weight of 288.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate is sourced from PubChem (CID 103258791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).