4-[2-(4-methylphenyl)ethynyl]quinoline

C18H13N — CID 11356949

IUPAC4-[2-(4-methylphenyl)ethynyl]quinoline
SMILESCc1ccc(C#Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C18H13N/c1-14-6-8-15(9-7-14)10-11-16-12-13-19-18-5-3-2-4-17(16)18/h2-9,12-13H,1H3
InChIKeyYRRYYZPQHDKKTD-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.94
Rot. Bonds

About 4-[2-(4-methylphenyl)ethynyl]quinoline

4-[2-(4-methylphenyl)ethynyl]quinoline (PubChem CID 11356949) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)ethynyl]quinoline.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)ethynyl]quinoline
PubChem CID11356949
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name4-[2-(4-methylphenyl)ethynyl]quinoline
SMILESCc1ccc(C#Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C18H13N/c1-14-6-8-15(9-7-14)10-11-16-12-13-19-18-5-3-2-4-17(16)18/h2-9,12-13H,1H3
InChIKeyYRRYYZPQHDKKTD-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(4-methylphenyl)ethynyl]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 4-[2-(4-methylphenyl)ethynyl]quinoline?
The IUPAC name of 4-[2-(4-methylphenyl)ethynyl]quinoline (CID 11356949) is 4-[2-(4-methylphenyl)ethynyl]quinoline.
What is the SMILES notation for 4-[2-(4-methylphenyl)ethynyl]quinoline?
The canonical SMILES for 4-[2-(4-methylphenyl)ethynyl]quinoline is Cc1ccc(C#Cc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)ethynyl]quinoline?
The InChIKey is YRRYYZPQHDKKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c1-14-6-8-15(9-7-14)10-11-16-12-13-19-18-5-3-2-4-17(16)18/h2-9,12-13H,1H3.
What are the key properties of 4-[2-(4-methylphenyl)ethynyl]quinoline?
4-[2-(4-methylphenyl)ethynyl]quinoline has a molecular weight of 243.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)ethynyl]quinoline is sourced from PubChem (CID 11356949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).