2-[(3-butoxyphenoxy)methyl]quinoline

C20H21NO2 — CID 14650340

IUPAC2-[(3-butoxyphenoxy)methyl]quinoline
SMILESCCCCOc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C20H21NO2/c1-2-3-13-22-18-8-6-9-19(14-18)23-15-17-12-11-16-7-4-5-10-20(16)21-17/h4-12,14H,2-3,13,15H2,1H3
InChIKeyUBDSCBZDTZHXHG-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.99
Rot. Bonds7

About 2-[(3-butoxyphenoxy)methyl]quinoline

2-[(3-butoxyphenoxy)methyl]quinoline (PubChem CID 14650340) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[(3-butoxyphenoxy)methyl]quinoline.

Molecular Properties

Compound Name2-[(3-butoxyphenoxy)methyl]quinoline
PubChem CID14650340
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-[(3-butoxyphenoxy)methyl]quinoline
SMILESCCCCOc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C20H21NO2/c1-2-3-13-22-18-8-6-9-19(14-18)23-15-17-12-11-16-7-4-5-10-20(16)21-17/h4-12,14H,2-3,13,15H2,1H3
InChIKeyUBDSCBZDTZHXHG-UHFFFAOYSA-N
XLogP4.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.99
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 2-[(3-butoxyphenoxy)methyl]quinoline?
The IUPAC name of 2-[(3-butoxyphenoxy)methyl]quinoline (CID 14650340) is 2-[(3-butoxyphenoxy)methyl]quinoline.
What is the SMILES notation for 2-[(3-butoxyphenoxy)methyl]quinoline?
The canonical SMILES for 2-[(3-butoxyphenoxy)methyl]quinoline is CCCCOc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[(3-butoxyphenoxy)methyl]quinoline?
The InChIKey is UBDSCBZDTZHXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-3-13-22-18-8-6-9-19(14-18)23-15-17-12-11-16-7-4-5-10-20(16)21-17/h4-12,14H,2-3,13,15H2,1H3.
What are the key properties of 2-[(3-butoxyphenoxy)methyl]quinoline?
2-[(3-butoxyphenoxy)methyl]quinoline has a molecular weight of 307.39 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxyphenoxy)methyl]quinoline is sourced from PubChem (CID 14650340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).