ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate

C17H20N2O2 — CID 62028143

IUPACethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C17H20N2O2/c1-2-21-17(20)12-19(15-9-10-15)11-14-8-7-13-5-3-4-6-16(13)18-14/h3-8,15H,2,9-12H2,1H3
InChIKeyWGAHUXUIICONPU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.76
Rot. Bonds6

About ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate

ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate (PubChem CID 62028143) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate
PubChem CID62028143
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccc2ccccc2n1)C1CC1
InChIInChI=1S/C17H20N2O2/c1-2-21-17(20)12-19(15-9-10-15)11-14-8-7-13-5-3-4-6-16(13)18-14/h3-8,15H,2,9-12H2,1H3
InChIKeyWGAHUXUIICONPU-UHFFFAOYSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate 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-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate (CID 62028143) is ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccc2ccccc2n1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate?
The InChIKey is WGAHUXUIICONPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-21-17(20)12-19(15-9-10-15)11-14-8-7-13-5-3-4-6-16(13)18-14/h3-8,15H,2,9-12H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate?
ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate has a molecular weight of 284.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(quinolin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 62028143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).