ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate

C16H18N2O2 — CID 114486851

IUPACethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1c1cccc2cccnc12
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)14-10-17-9-13(14)12-7-3-5-11-6-4-8-18-15(11)12/h3-8,13-14,17H,2,9-10H2,1H3
InChIKeyVIVIMZFIZCCCLW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.10
Rot. Bonds3

About ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate

ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate (PubChem CID 114486851) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate
PubChem CID114486851
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nameethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1c1cccc2cccnc12
InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)14-10-17-9-13(14)12-7-3-5-11-6-4-8-18-15(11)12/h3-8,13-14,17H,2,9-10H2,1H3
InChIKeyVIVIMZFIZCCCLW-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate 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 4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 23000180
ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 134162600
ethyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129462996
3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10620654
ethyl 2-quinolin-8-ylacetate
CID 52562898
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl 4-(1-methylpyrrol-3-yl)pyrrolidine-3-carboxylate
CID 165344473
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
ethyl 4-(3-propan-2-ylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486818
ethyl (1S)-2-isoquinolin-1-ylcyclopropane-1-carboxylate
CID 90221399

Frequently Asked Questions

What is the IUPAC name of ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate (CID 114486851) is ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate is CCOC(=O)C1CNCC1c1cccc2cccnc12.
What is the InChIKey of ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate?
The InChIKey is VIVIMZFIZCCCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-16(19)14-10-17-9-13(14)12-7-3-5-11-6-4-8-18-15(11)12/h3-8,13-14,17H,2,9-10H2,1H3.
What are the key properties of ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate?
ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 114486851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).