5-methoxy-2-(2-phenylethynyl)quinoline

C18H13NO — CID 71562840

IUPAC5-methoxy-2-(2-phenylethynyl)quinoline
SMILESCOc1cccc2nc(C#Cc3ccccc3)ccc12
InChIInChI=1S/C18H13NO/c1-20-18-9-5-8-17-16(18)13-12-15(19-17)11-10-14-6-3-2-4-7-14/h2-9,12-13H,1H3
InChIKeyJKTIXUXRNOXCFC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.64
Rot. Bonds1

About 5-methoxy-2-(2-phenylethynyl)quinoline

5-methoxy-2-(2-phenylethynyl)quinoline (PubChem CID 71562840) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methoxy-2-(2-phenylethynyl)quinoline.

Molecular Properties

Compound Name5-methoxy-2-(2-phenylethynyl)quinoline
PubChem CID71562840
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name5-methoxy-2-(2-phenylethynyl)quinoline
SMILESCOc1cccc2nc(C#Cc3ccccc3)ccc12
InChIInChI=1S/C18H13NO/c1-20-18-9-5-8-17-16(18)13-12-15(19-17)11-10-14-6-3-2-4-7-14/h2-9,12-13H,1H3
InChIKeyJKTIXUXRNOXCFC-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-phenylethynyl)quinoline?
The IUPAC name of 5-methoxy-2-(2-phenylethynyl)quinoline (CID 71562840) is 5-methoxy-2-(2-phenylethynyl)quinoline.
What is the SMILES notation for 5-methoxy-2-(2-phenylethynyl)quinoline?
The canonical SMILES for 5-methoxy-2-(2-phenylethynyl)quinoline is COc1cccc2nc(C#Cc3ccccc3)ccc12.
What is the InChIKey of 5-methoxy-2-(2-phenylethynyl)quinoline?
The InChIKey is JKTIXUXRNOXCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c1-20-18-9-5-8-17-16(18)13-12-15(19-17)11-10-14-6-3-2-4-7-14/h2-9,12-13H,1H3.
What are the key properties of 5-methoxy-2-(2-phenylethynyl)quinoline?
5-methoxy-2-(2-phenylethynyl)quinoline has a molecular weight of 259.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-phenylethynyl)quinoline is sourced from PubChem (CID 71562840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).