2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline

C23H18N2O — CID 52643093

IUPAC2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline
SMILESC(=C/c1ccccc1OCc1cccnc1)\c1ccc2ccccc2n1
InChIInChI=1S/C23H18N2O/c1-3-9-22-19(7-1)11-13-21(25-22)14-12-20-8-2-4-10-23(20)26-17-18-6-5-15-24-16-18/h1-16H,17H2/b14-12+
InChIKeyLJOFOIMJPSDFDV-WYMLVPIESA-N
MW338.41 g/mol
LogP5.38
Rot. Bonds5

About 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline

2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline (PubChem CID 52643093) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline
PubChem CID52643093
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline
SMILESC(=C/c1ccccc1OCc1cccnc1)\c1ccc2ccccc2n1
InChIInChI=1S/C23H18N2O/c1-3-9-22-19(7-1)11-13-21(25-22)14-12-20-8-2-4-10-23(20)26-17-18-6-5-15-24-16-18/h1-16H,17H2/b14-12+
InChIKeyLJOFOIMJPSDFDV-WYMLVPIESA-N
XLogP5.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline (CID 52643093) is 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline is C(=C/c1ccccc1OCc1cccnc1)\c1ccc2ccccc2n1.
What is the InChIKey of 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline?
The InChIKey is LJOFOIMJPSDFDV-WYMLVPIESA-N. The full InChI is InChI=1S/C23H18N2O/c1-3-9-22-19(7-1)11-13-21(25-22)14-12-20-8-2-4-10-23(20)26-17-18-6-5-15-24-16-18/h1-16H,17H2/b14-12+.
What are the key properties of 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline?
2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline has a molecular weight of 338.41 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline is sourced from PubChem (CID 52643093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).