ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate

C21H20N2O3 — CID 165352865

IUPACethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H20N2O3/c1-2-26-20(24)15-23(14-16-8-4-3-5-9-16)21(25)18-12-17-10-6-7-11-19(17)22-13-18/h3-13H,2,14-15H2,1H3
InChIKeyLQSHCJKXXWMHKJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.44
Rot. Bonds6

About ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate

ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate (PubChem CID 165352865) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
PubChem CID165352865
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H20N2O3/c1-2-26-20(24)15-23(14-16-8-4-3-5-9-16)21(25)18-12-17-10-6-7-11-19(17)22-13-18/h3-13H,2,14-15H2,1H3
InChIKeyLQSHCJKXXWMHKJ-UHFFFAOYSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[benzyl(quinoline-3-carbonyl)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

Related Compounds

ethyl 3-oxo-3-quinolin-3-ylpropanoate
CID 22925293
ethyl 2-[(3-aminopyrazine-2-carbonyl)-benzylamino]acetate
CID 15377951
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
ethyl 2-[benzyl-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 86852495
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
ethyl 2-[benzyl-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl]amino]acetate
CID 67214048
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
ethyl 2-[benzyl(hexanoyl)amino]acetate
CID 78978694
ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
CID 78925570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate (CID 165352865) is ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)c1cnc2ccccc2c1.
What is the InChIKey of ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate?
The InChIKey is LQSHCJKXXWMHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-26-20(24)15-23(14-16-8-4-3-5-9-16)21(25)18-12-17-10-6-7-11-19(17)22-13-18/h3-13H,2,14-15H2,1H3.
What are the key properties of ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate?
ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate has a molecular weight of 348.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate is sourced from PubChem (CID 165352865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).