6-[2-(4-methylphenyl)ethynyl]quinoline

C18H13N — CID 58362500

IUPAC6-[2-(4-methylphenyl)ethynyl]quinoline
SMILESCc1ccc(C#Cc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H13N/c1-14-4-6-15(7-5-14)8-9-16-10-11-18-17(13-16)3-2-12-19-18/h2-7,10-13H,1H3
InChIKeyXTWZMTGDJVOLPM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.94
Rot. Bonds

About 6-[2-(4-methylphenyl)ethynyl]quinoline

6-[2-(4-methylphenyl)ethynyl]quinoline (PubChem CID 58362500) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[2-(4-methylphenyl)ethynyl]quinoline.

Molecular Properties

Compound Name6-[2-(4-methylphenyl)ethynyl]quinoline
PubChem CID58362500
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name6-[2-(4-methylphenyl)ethynyl]quinoline
SMILESCc1ccc(C#Cc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H13N/c1-14-4-6-15(7-5-14)8-9-16-10-11-18-17(13-16)3-2-12-19-18/h2-7,10-13H,1H3
InChIKeyXTWZMTGDJVOLPM-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'}

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Related Compounds

6-methylquinoline
CID 7059
4-methylpyridine;6-methylquinoline
CID 142243578
iodoethane;6-methylquinoline
CID 160581758
7-(2-phenylethynyl)quinoline
CID 101476141
6-(3-methylphenyl)quinoline
CID 4185278
2,6-bis[2-(4-methylphenyl)ethynyl]anthracene
CID 59146732
2,9-bis[2-(4-methylphenyl)ethynyl]pentacene
CID 59146857
6-[2-(4-methylphenyl)cyclobutyl]quinoline
CID 172635808
2-[2-(4-methylphenyl)ethynyl]-1,10-phenanthroline
CID 118423556
7-prop-1-ynylquinoline
CID 91238041
7-[2-(4-methylphenyl)ethynyl]isoquinoline
CID 11550503
trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylphenyl)ethynyl]quinoline?
The IUPAC name of 6-[2-(4-methylphenyl)ethynyl]quinoline (CID 58362500) is 6-[2-(4-methylphenyl)ethynyl]quinoline.
What is the SMILES notation for 6-[2-(4-methylphenyl)ethynyl]quinoline?
The canonical SMILES for 6-[2-(4-methylphenyl)ethynyl]quinoline is Cc1ccc(C#Cc2ccc3ncccc3c2)cc1.
What is the InChIKey of 6-[2-(4-methylphenyl)ethynyl]quinoline?
The InChIKey is XTWZMTGDJVOLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c1-14-4-6-15(7-5-14)8-9-16-10-11-18-17(13-16)3-2-12-19-18/h2-7,10-13H,1H3.
What are the key properties of 6-[2-(4-methylphenyl)ethynyl]quinoline?
6-[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 6-[2-(4-methylphenyl)ethynyl]quinoline is sourced from PubChem (CID 58362500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).