2-[(E)-2-pyridin-3-ylethenyl]quinoline

C16H12N2 — CID 5376707

IUPAC2-[(E)-2-pyridin-3-ylethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1cccnc1
InChIInChI=1S/C16H12N2/c1-2-6-16-14(5-1)8-10-15(18-16)9-7-13-4-3-11-17-12-13/h1-12H/b9-7+
InChIKeyLUHTXESUYWNUHX-VQHVLOKHSA-N
MW232.29 g/mol
LogP3.80
Rot. Bonds2

About 2-[(E)-2-pyridin-3-ylethenyl]quinoline

2-[(E)-2-pyridin-3-ylethenyl]quinoline (PubChem CID 5376707) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(E)-2-pyridin-3-ylethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-pyridin-3-ylethenyl]quinoline
PubChem CID5376707
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name2-[(E)-2-pyridin-3-ylethenyl]quinoline
SMILESC(=C/c1ccc2ccccc2n1)\c1cccnc1
InChIInChI=1S/C16H12N2/c1-2-6-16-14(5-1)8-10-15(18-16)9-7-13-4-3-11-17-12-13/h1-12H/b9-7+
InChIKeyLUHTXESUYWNUHX-VQHVLOKHSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridin-3-ylethenyl]quinoline?
The IUPAC name of 2-[(E)-2-pyridin-3-ylethenyl]quinoline (CID 5376707) is 2-[(E)-2-pyridin-3-ylethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-pyridin-3-ylethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-pyridin-3-ylethenyl]quinoline is C(=C/c1ccc2ccccc2n1)\c1cccnc1.
What is the InChIKey of 2-[(E)-2-pyridin-3-ylethenyl]quinoline?
The InChIKey is LUHTXESUYWNUHX-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-6-16-14(5-1)8-10-15(18-16)9-7-13-4-3-11-17-12-13/h1-12H/b9-7+.
What are the key properties of 2-[(E)-2-pyridin-3-ylethenyl]quinoline?
2-[(E)-2-pyridin-3-ylethenyl]quinoline has a molecular weight of 232.29 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridin-3-ylethenyl]quinoline is sourced from PubChem (CID 5376707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).