2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate

C16H21NO2 — CID 106202949

IUPAC2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESO=C(OCCC1CCC1)C1CCNc2ccccc21
InChIInChI=1S/C16H21NO2/c18-16(19-11-9-12-4-3-5-12)14-8-10-17-15-7-2-1-6-13(14)15/h1-2,6-7,12,14,17H,3-5,8-11H2
InChIKeyKGEAGKRFAZKTFH-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.32
Rot. Bonds4

About 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate

2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate (PubChem CID 106202949) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
PubChem CID106202949
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESO=C(OCCC1CCC1)C1CCNc2ccccc21
InChIInChI=1S/C16H21NO2/c18-16(19-11-9-12-4-3-5-12)14-8-10-17-15-7-2-1-6-13(14)15/h1-2,6-7,12,14,17H,3-5,8-11H2
InChIKeyKGEAGKRFAZKTFH-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate 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 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
The IUPAC name of 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate (CID 106202949) is 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate is O=C(OCCC1CCC1)C1CCNc2ccccc21.
What is the InChIKey of 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
The InChIKey is KGEAGKRFAZKTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19-11-9-12-4-3-5-12)14-8-10-17-15-7-2-1-6-13(14)15/h1-2,6-7,12,14,17H,3-5,8-11H2.
What are the key properties of 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate is sourced from PubChem (CID 106202949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).