2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate

C16H23NO4 — CID 103178424

IUPAC2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOCCCOCCOC(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H23NO4/c1-19-9-4-10-20-11-12-21-16(18)14-7-8-17-15-6-3-2-5-13(14)15/h2-3,5-6,14,17H,4,7-12H2,1H3
InChIKeyLGXWTWXWZLYTAD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.18
Rot. Bonds8

About 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate

2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate (PubChem CID 103178424) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
PubChem CID103178424
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
SMILESCOCCCOCCOC(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H23NO4/c1-19-9-4-10-20-11-12-21-16(18)14-7-8-17-15-6-3-2-5-13(14)15/h2-3,5-6,14,17H,4,7-12H2,1H3
InChIKeyLGXWTWXWZLYTAD-UHFFFAOYSA-N
XLogP2.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate (CID 103178424) is 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate is COCCCOCCOC(=O)C1CCNc2ccccc21.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
The InChIKey is LGXWTWXWZLYTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-9-4-10-20-11-12-21-16(18)14-7-8-17-15-6-3-2-5-13(14)15/h2-3,5-6,14,17H,4,7-12H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate?
2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate is sourced from PubChem (CID 103178424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).