3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

C14H21NO3 — CID 107387379

IUPAC3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCOCCOC1CNc2ccccc2C1
InChIInChI=1S/C14H21NO3/c1-16-6-7-17-8-9-18-13-10-12-4-2-3-5-14(12)15-11-13/h2-5,13,15H,6-11H2,1H3
InChIKeyJXNWYXZMRGLUKR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.70
Rot. Bonds7

About 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 107387379) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID107387379
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCOCCOC1CNc2ccccc2C1
InChIInChI=1S/C14H21NO3/c1-16-6-7-17-8-9-18-13-10-12-4-2-3-5-14(12)15-11-13/h2-5,13,15H,6-11H2,1H3
InChIKeyJXNWYXZMRGLUKR-UHFFFAOYSA-N
XLogP1.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline
CID 107387405
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387372
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
4-[2-(1,2,3,4-tetrahydroquinolin-3-yloxy)ethyl]morpholine
CID 107387425
N-(3-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387319
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 57137964
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387448
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902806
4-[2-(2-methoxyethoxy)ethyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318465
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 104564613
3-(3-methylbut-3-enoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314419

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (CID 107387379) is 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is COCCOCCOC1CNc2ccccc2C1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JXNWYXZMRGLUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-6-7-17-8-9-18-13-10-12-4-2-3-5-14(12)15-11-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107387379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).