2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide

C19H14INS2 — CID 46906863

IUPAC2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccc2ccccc2n1.I
InChIInChI=1S/C19H13NS2.HI/c1-2-5-17-14(4-1)7-8-15(20-17)9-10-16-11-12-19(22-16)18-6-3-13-21-18;/h1-13H;1H/b10-9+;
InChIKeyKDHBLQCECTUBRV-RRABGKBLSA-N
MW447.37 g/mol
LogP6.81
Rot. Bonds3

About 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide

2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide (PubChem CID 46906863) has the molecular formula C19H14INS2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide.

Molecular Properties

Compound Name2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide
PubChem CID46906863
Molecular FormulaC19H14INS2
Molecular Weight447.37 g/mol
Exact Mass446.96
IUPAC Name2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccc2ccccc2n1.I
InChIInChI=1S/C19H13NS2.HI/c1-2-5-17-14(4-1)7-8-15(20-17)9-10-16-11-12-19(22-16)18-6-3-13-21-18;/h1-13H;1H/b10-9+;
InChIKeyKDHBLQCECTUBRV-RRABGKBLSA-N
XLogP6.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.37
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide?
The IUPAC name of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide (CID 46906863) is 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide.
What is the SMILES notation for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide?
The canonical SMILES for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide is C(=C/c1ccc(-c2cccs2)s1)\c1ccc2ccccc2n1.I.
What is the InChIKey of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide?
The InChIKey is KDHBLQCECTUBRV-RRABGKBLSA-N. The full InChI is InChI=1S/C19H13NS2.HI/c1-2-5-17-14(4-1)7-8-15(20-17)9-10-16-11-12-19(22-16)18-6-3-13-21-18;/h1-13H;1H/b10-9+;.
What are the key properties of 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide?
2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide has a molecular weight of 447.37 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide is sourced from PubChem (CID 46906863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).