6,7-dimethoxy-3-(2-phenylethynyl)quinoline

C19H15NO2 — CID 10446889

IUPAC6,7-dimethoxy-3-(2-phenylethynyl)quinoline
SMILESCOc1cc2cc(C#Cc3ccccc3)cnc2cc1OC
InChIInChI=1S/C19H15NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h3-7,10-13H,1-2H3
InChIKeyFIWNVHIDDOMDBP-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.65
Rot. Bonds2

About 6,7-dimethoxy-3-(2-phenylethynyl)quinoline

6,7-dimethoxy-3-(2-phenylethynyl)quinoline (PubChem CID 10446889) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(2-phenylethynyl)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-(2-phenylethynyl)quinoline
PubChem CID10446889
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name6,7-dimethoxy-3-(2-phenylethynyl)quinoline
SMILESCOc1cc2cc(C#Cc3ccccc3)cnc2cc1OC
InChIInChI=1S/C19H15NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h3-7,10-13H,1-2H3
InChIKeyFIWNVHIDDOMDBP-UHFFFAOYSA-N
XLogP3.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6,7-dimethoxy-3-(2-phenylethynyl)quinoline?
The IUPAC name of 6,7-dimethoxy-3-(2-phenylethynyl)quinoline (CID 10446889) is 6,7-dimethoxy-3-(2-phenylethynyl)quinoline.
What is the SMILES notation for 6,7-dimethoxy-3-(2-phenylethynyl)quinoline?
The canonical SMILES for 6,7-dimethoxy-3-(2-phenylethynyl)quinoline is COc1cc2cc(C#Cc3ccccc3)cnc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-(2-phenylethynyl)quinoline?
The InChIKey is FIWNVHIDDOMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-21-18-11-16-10-15(9-8-14-6-4-3-5-7-14)13-20-17(16)12-19(18)22-2/h3-7,10-13H,1-2H3.
What are the key properties of 6,7-dimethoxy-3-(2-phenylethynyl)quinoline?
6,7-dimethoxy-3-(2-phenylethynyl)quinoline has a molecular weight of 289.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(2-phenylethynyl)quinoline is sourced from PubChem (CID 10446889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).