ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate

C18H22N2O3 — CID 69287154

IUPACethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(N3CCCC3)cc(C)nc2c1
InChIInChI=1S/C18H22N2O3/c1-3-22-18(21)12-23-14-6-7-15-16(11-14)19-13(2)10-17(15)20-8-4-5-9-20/h6-7,10-11H,3-5,8-9,12H2,1-2H3
InChIKeyJQNNQJXVFCCBSL-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.09
Rot. Bonds5

About ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate

ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate (PubChem CID 69287154) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate
PubChem CID69287154
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate
SMILESCCOC(=O)COc1ccc2c(N3CCCC3)cc(C)nc2c1
InChIInChI=1S/C18H22N2O3/c1-3-22-18(21)12-23-14-6-7-15-16(11-14)19-13(2)10-17(15)20-8-4-5-9-20/h6-7,10-11H,3-5,8-9,12H2,1-2H3
InChIKeyJQNNQJXVFCCBSL-UHFFFAOYSA-N
XLogP3.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate 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 ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate?
The IUPAC name of ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate (CID 69287154) is ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate?
The canonical SMILES for ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate is CCOC(=O)COc1ccc2c(N3CCCC3)cc(C)nc2c1.
What is the InChIKey of ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate?
The InChIKey is JQNNQJXVFCCBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-22-18(21)12-23-14-6-7-15-16(11-14)19-13(2)10-17(15)20-8-4-5-9-20/h6-7,10-11H,3-5,8-9,12H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate?
ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate has a molecular weight of 314.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxyacetate is sourced from PubChem (CID 69287154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).