4-(4-phenoxybutoxy)quinoline

C19H19NO2 — CID 42631043

IUPAC4-(4-phenoxybutoxy)quinoline
SMILESc1ccc(OCCCCOc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H19NO2/c1-2-8-16(9-3-1)21-14-6-7-15-22-19-12-13-20-18-11-5-4-10-17(18)19/h1-5,8-13H,6-7,14-15H2
InChIKeyRDEWQENIJJCEFK-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.47
Rot. Bonds7

About 4-(4-phenoxybutoxy)quinoline

4-(4-phenoxybutoxy)quinoline (PubChem CID 42631043) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(4-phenoxybutoxy)quinoline.

Molecular Properties

Compound Name4-(4-phenoxybutoxy)quinoline
PubChem CID42631043
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-(4-phenoxybutoxy)quinoline
SMILESc1ccc(OCCCCOc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H19NO2/c1-2-8-16(9-3-1)21-14-6-7-15-22-19-12-13-20-18-11-5-4-10-17(18)19/h1-5,8-13H,6-7,14-15H2
InChIKeyRDEWQENIJJCEFK-UHFFFAOYSA-N
XLogP4.47
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.47
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 4-(4-phenoxybutoxy)quinoline?
The IUPAC name of 4-(4-phenoxybutoxy)quinoline (CID 42631043) is 4-(4-phenoxybutoxy)quinoline.
What is the SMILES notation for 4-(4-phenoxybutoxy)quinoline?
The canonical SMILES for 4-(4-phenoxybutoxy)quinoline is c1ccc(OCCCCOc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-(4-phenoxybutoxy)quinoline?
The InChIKey is RDEWQENIJJCEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-8-16(9-3-1)21-14-6-7-15-22-19-12-13-20-18-11-5-4-10-17(18)19/h1-5,8-13H,6-7,14-15H2.
What are the key properties of 4-(4-phenoxybutoxy)quinoline?
4-(4-phenoxybutoxy)quinoline has a molecular weight of 293.37 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxybutoxy)quinoline is sourced from PubChem (CID 42631043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).