2-(2-thiophen-3-ylethynyl)quinoline

C15H9NS — CID 71746380

IUPAC2-(2-thiophen-3-ylethynyl)quinoline
SMILESC(#Cc1ccc2ccccc2n1)c1ccsc1
InChIInChI=1S/C15H9NS/c1-2-4-15-13(3-1)6-8-14(16-15)7-5-12-9-10-17-11-12/h1-4,6,8-11H
InChIKeyXGBRHIPPJQXNRZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.70
Rot. Bonds

About 2-(2-thiophen-3-ylethynyl)quinoline

2-(2-thiophen-3-ylethynyl)quinoline (PubChem CID 71746380) has the molecular formula C15H9NS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethynyl)quinoline.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethynyl)quinoline
PubChem CID71746380
Molecular FormulaC15H9NS
Molecular Weight235.31 g/mol
Exact Mass235.05
IUPAC Name2-(2-thiophen-3-ylethynyl)quinoline
SMILESC(#Cc1ccc2ccccc2n1)c1ccsc1
InChIInChI=1S/C15H9NS/c1-2-4-15-13(3-1)6-8-14(16-15)7-5-12-9-10-17-11-12/h1-4,6,8-11H
InChIKeyXGBRHIPPJQXNRZ-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile
CID 71563215
2-(2-thiophen-3-ylethynyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213627
2-[2-[4-(5-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]ethynyl]quinoline
CID 71611771
2-(2-thiophen-3-ylethenyl)quinoline
CID 3618780
3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
5-[4-(2-quinolin-2-ylethynyl)phenoxy]benzene-1,3-dicarboxylic acid
CID 139967549
6-quinolin-2-ylhex-5-yn-1-ol
CID 58269860
2-thiophen-3-ylethynylsilane
CID 174774577
2-thiophen-3-ylethynethiolate
CID 101453743
N-(quinolin-2-ylmethyl)thiophen-3-amine
CID 66352127
3-[2-(2-ethenylphenyl)ethynyl]thiophene
CID 150232619
2-[2-[4-(1-cyclopropyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]quinoline
CID 71611766

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethynyl)quinoline?
The IUPAC name of 2-(2-thiophen-3-ylethynyl)quinoline (CID 71746380) is 2-(2-thiophen-3-ylethynyl)quinoline.
What is the SMILES notation for 2-(2-thiophen-3-ylethynyl)quinoline?
The canonical SMILES for 2-(2-thiophen-3-ylethynyl)quinoline is C(#Cc1ccc2ccccc2n1)c1ccsc1.
What is the InChIKey of 2-(2-thiophen-3-ylethynyl)quinoline?
The InChIKey is XGBRHIPPJQXNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS/c1-2-4-15-13(3-1)6-8-14(16-15)7-5-12-9-10-17-11-12/h1-4,6,8-11H.
What are the key properties of 2-(2-thiophen-3-ylethynyl)quinoline?
2-(2-thiophen-3-ylethynyl)quinoline has a molecular weight of 235.31 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethynyl)quinoline is sourced from PubChem (CID 71746380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).