8-[3-(3-ethoxyphenoxy)propoxy]quinoline

C20H21NO3 — CID 2283037

IUPAC8-[3-(3-ethoxyphenoxy)propoxy]quinoline
SMILESCCOc1cccc(OCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C20H21NO3/c1-2-22-17-9-4-10-18(15-17)23-13-6-14-24-19-11-3-7-16-8-5-12-21-20(16)19/h3-5,7-12,15H,2,6,13-14H2,1H3
InChIKeyQCEFQDATMRUYMG-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.48
Rot. Bonds8

About 8-[3-(3-ethoxyphenoxy)propoxy]quinoline

8-[3-(3-ethoxyphenoxy)propoxy]quinoline (PubChem CID 2283037) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 8-[3-(3-ethoxyphenoxy)propoxy]quinoline.

Molecular Properties

Compound Name8-[3-(3-ethoxyphenoxy)propoxy]quinoline
PubChem CID2283037
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name8-[3-(3-ethoxyphenoxy)propoxy]quinoline
SMILESCCOc1cccc(OCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C20H21NO3/c1-2-22-17-9-4-10-18(15-17)23-13-6-14-24-19-11-3-7-16-8-5-12-21-20(16)19/h3-5,7-12,15H,2,6,13-14H2,1H3
InChIKeyQCEFQDATMRUYMG-UHFFFAOYSA-N
XLogP4.48
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-[3-(3-ethoxyphenoxy)propoxy]quinoline?
The IUPAC name of 8-[3-(3-ethoxyphenoxy)propoxy]quinoline (CID 2283037) is 8-[3-(3-ethoxyphenoxy)propoxy]quinoline.
What is the SMILES notation for 8-[3-(3-ethoxyphenoxy)propoxy]quinoline?
The canonical SMILES for 8-[3-(3-ethoxyphenoxy)propoxy]quinoline is CCOc1cccc(OCCCOc2cccc3cccnc23)c1.
What is the InChIKey of 8-[3-(3-ethoxyphenoxy)propoxy]quinoline?
The InChIKey is QCEFQDATMRUYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-22-17-9-4-10-18(15-17)23-13-6-14-24-19-11-3-7-16-8-5-12-21-20(16)19/h3-5,7-12,15H,2,6,13-14H2,1H3.
What are the key properties of 8-[3-(3-ethoxyphenoxy)propoxy]quinoline?
8-[3-(3-ethoxyphenoxy)propoxy]quinoline has a molecular weight of 323.39 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-ethoxyphenoxy)propoxy]quinoline is sourced from PubChem (CID 2283037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).