5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

C15H23NO3 — CID 103180421

IUPAC5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCCOCCOc1cccc2c1CCCN2
InChIInChI=1S/C15H23NO3/c1-17-9-4-10-18-11-12-19-15-7-2-6-14-13(15)5-3-8-16-14/h2,6-7,16H,3-5,8-12H2,1H3
InChIKeyYJLIRQVETDKFRF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.48
Rot. Bonds8

About 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline

5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 103180421) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID103180421
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCOCCCOCCOc1cccc2c1CCCN2
InChIInChI=1S/C15H23NO3/c1-17-9-4-10-18-11-12-19-15-7-2-6-14-13(15)5-3-8-16-14/h2,6-7,16H,3-5,8-12H2,1H3
InChIKeyYJLIRQVETDKFRF-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

2-(1,2,3,4-tetrahydroquinolin-5-yloxy)ethanamine
CID 84664284
5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 103045046
5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 10358078
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
N-(2-methoxyethyl)-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 103044980
7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107314042
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120
5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 103045048
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
5-[(3-methylcyclopentyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075113

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline (CID 103180421) is 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is COCCCOCCOc1cccc2c1CCCN2.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is YJLIRQVETDKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-9-4-10-18-11-12-19-15-7-2-6-14-13(15)5-3-8-16-14/h2,6-7,16H,3-5,8-12H2,1H3.
What are the key properties of 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline?
5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.35 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103180421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).