2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline

C17H15N — CID 24777940

IUPAC2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline
SMILESC(#Cc1ccc2c(n1)CCCC2)c1ccccc1
InChIInChI=1S/C17H15N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeyWGJNWKPVRLKAIF-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.36
Rot. Bonds

About 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline

2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 24777940) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline
PubChem CID24777940
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline
SMILESC(#Cc1ccc2c(n1)CCCC2)c1ccccc1
InChIInChI=1S/C17H15N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeyWGJNWKPVRLKAIF-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline (CID 24777940) is 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline is C(#Cc1ccc2c(n1)CCCC2)c1ccccc1.
What is the InChIKey of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is WGJNWKPVRLKAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-3,6-7,11,13H,4-5,8-9H2.
What are the key properties of 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline?
2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 233.31 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 24777940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).