8-[3-(3,4-dimethylphenoxy)propoxy]quinoline

C20H21NO2 — CID 2291961

IUPAC8-[3-(3,4-dimethylphenoxy)propoxy]quinoline
SMILESCc1ccc(OCCCOc2cccc3cccnc23)cc1C
InChIInChI=1S/C20H21NO2/c1-15-9-10-18(14-16(15)2)22-12-5-13-23-19-8-3-6-17-7-4-11-21-20(17)19/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyVTOXFJAGHCHRAY-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.70
Rot. Bonds6

About 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline

8-[3-(3,4-dimethylphenoxy)propoxy]quinoline (PubChem CID 2291961) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline.

Molecular Properties

Compound Name8-[3-(3,4-dimethylphenoxy)propoxy]quinoline
PubChem CID2291961
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name8-[3-(3,4-dimethylphenoxy)propoxy]quinoline
SMILESCc1ccc(OCCCOc2cccc3cccnc23)cc1C
InChIInChI=1S/C20H21NO2/c1-15-9-10-18(14-16(15)2)22-12-5-13-23-19-8-3-6-17-7-4-11-21-20(17)19/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyVTOXFJAGHCHRAY-UHFFFAOYSA-N
XLogP4.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,4-dimethylphenoxy)propoxy]quinoline?
The IUPAC name of 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline (CID 2291961) is 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline.
What is the SMILES notation for 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline?
The canonical SMILES for 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline is Cc1ccc(OCCCOc2cccc3cccnc23)cc1C.
What is the InChIKey of 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline?
The InChIKey is VTOXFJAGHCHRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-9-10-18(14-16(15)2)22-12-5-13-23-19-8-3-6-17-7-4-11-21-20(17)19/h3-4,6-11,14H,5,12-13H2,1-2H3.
What are the key properties of 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline?
8-[3-(3,4-dimethylphenoxy)propoxy]quinoline has a molecular weight of 307.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline is sourced from PubChem (CID 2291961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).