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

C15H23NO3 — CID 107387405

IUPAC3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCOCCCOC1CNc2ccccc2C1
InChIInChI=1S/C15H23NO3/c1-17-9-10-18-7-4-8-19-14-11-13-5-2-3-6-15(13)16-12-14/h2-3,5-6,14,16H,4,7-12H2,1H3
InChIKeyVHASJIAJCKQALE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.09
Rot. Bonds8

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

3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 107387405) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID107387405
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCOCCCOC1CNc2ccccc2C1
InChIInChI=1S/C15H23NO3/c1-17-9-10-18-7-4-8-19-14-11-13-5-2-3-6-15(13)16-12-14/h2-3,5-6,14,16H,4,7-12H2,1H3
InChIKeyVHASJIAJCKQALE-UHFFFAOYSA-N
XLogP2.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.09
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-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107387379
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387372
N-(3-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387319
3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 103403310
4-[2-(1,2,3,4-tetrahydroquinolin-3-yloxy)ethyl]morpholine
CID 107387425
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387448
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 57137964
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline (CID 107387405) is 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline is COCCOCCCOC1CNc2ccccc2C1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is VHASJIAJCKQALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-9-10-18-7-4-8-19-14-11-13-5-2-3-6-15(13)16-12-14/h2-3,5-6,14,16H,4,7-12H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline?
3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.35 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107387405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).