5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline

C17H12N2O — CID 71562957

IUPAC5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline
SMILESCOc1cccc2nc(C#Cc3cccnc3)ccc12
InChIInChI=1S/C17H12N2O/c1-20-17-6-2-5-16-15(17)10-9-14(19-16)8-7-13-4-3-11-18-12-13/h2-6,9-12H,1H3
InChIKeyDLCTXPGSSFTQPB-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.04
Rot. Bonds1

About 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline

5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline (PubChem CID 71562957) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline.

Molecular Properties

Compound Name5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline
PubChem CID71562957
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline
SMILESCOc1cccc2nc(C#Cc3cccnc3)ccc12
InChIInChI=1S/C17H12N2O/c1-20-17-6-2-5-16-15(17)10-9-14(19-16)8-7-13-4-3-11-18-12-13/h2-6,9-12H,1H3
InChIKeyDLCTXPGSSFTQPB-UHFFFAOYSA-N
XLogP3.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline?
The IUPAC name of 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline (CID 71562957) is 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline.
What is the SMILES notation for 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline?
The canonical SMILES for 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline is COc1cccc2nc(C#Cc3cccnc3)ccc12.
What is the InChIKey of 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline?
The InChIKey is DLCTXPGSSFTQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-20-17-6-2-5-16-15(17)10-9-14(19-16)8-7-13-4-3-11-18-12-13/h2-6,9-12H,1H3.
What are the key properties of 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline?
5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline has a molecular weight of 260.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-pyridin-3-ylethynyl)quinoline is sourced from PubChem (CID 71562957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).