7-(2-phenylethynyl)quinoline

C17H11N — CID 101476141

IUPAC7-(2-phenylethynyl)quinoline
SMILESC(#Cc1ccc2cccnc2c1)c1ccccc1
InChIInChI=1S/C17H11N/c1-2-5-14(6-3-1)8-9-15-10-11-16-7-4-12-18-17(16)13-15/h1-7,10-13H
InChIKeyMVCWAGFQWPCYCA-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.63
Rot. Bonds

About 7-(2-phenylethynyl)quinoline

7-(2-phenylethynyl)quinoline (PubChem CID 101476141) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-(2-phenylethynyl)quinoline.

Molecular Properties

Compound Name7-(2-phenylethynyl)quinoline
PubChem CID101476141
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Name7-(2-phenylethynyl)quinoline
SMILESC(#Cc1ccc2cccnc2c1)c1ccccc1
InChIInChI=1S/C17H11N/c1-2-5-14(6-3-1)8-9-15-10-11-16-7-4-12-18-17(16)13-15/h1-7,10-13H
InChIKeyMVCWAGFQWPCYCA-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.63
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

7-prop-1-ynylquinoline
CID 91238041
trimethyl(2-quinolin-7-ylethynyl)silane
CID 18931459
2-(2-phenylethynyl)anthracene
CID 143875510
6-[2-(4-methylphenyl)ethynyl]quinoline
CID 58362500
phenyl(quinolin-7-yl)diazene
CID 555553
4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridinyl]pyridine
CID 102151582
CID 174859636
CID 174859636
quinoline
CID 76974643
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096

Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylethynyl)quinoline?
The IUPAC name of 7-(2-phenylethynyl)quinoline (CID 101476141) is 7-(2-phenylethynyl)quinoline.
What is the SMILES notation for 7-(2-phenylethynyl)quinoline?
The canonical SMILES for 7-(2-phenylethynyl)quinoline is C(#Cc1ccc2cccnc2c1)c1ccccc1.
What is the InChIKey of 7-(2-phenylethynyl)quinoline?
The InChIKey is MVCWAGFQWPCYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-5-14(6-3-1)8-9-15-10-11-16-7-4-12-18-17(16)13-15/h1-7,10-13H.
What are the key properties of 7-(2-phenylethynyl)quinoline?
7-(2-phenylethynyl)quinoline has a molecular weight of 229.28 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethynyl)quinoline is sourced from PubChem (CID 101476141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).