4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline

C18H15NO — CID 5377590

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline
SMILESCOc1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H15NO/c1-20-16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+
InChIKeyWWQSNGMSYOYSOC-RMKNXTFCSA-N
MW261.32 g/mol
LogP4.41
Rot. Bonds3

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline

4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline (PubChem CID 5377590) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline
PubChem CID5377590
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline
SMILESCOc1ccc(/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C18H15NO/c1-20-16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+
InChIKeyWWQSNGMSYOYSOC-RMKNXTFCSA-N
XLogP4.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline (CID 5377590) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline is COc1ccc(/C=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline?
The InChIKey is WWQSNGMSYOYSOC-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H15NO/c1-20-16-10-7-14(8-11-16)6-9-15-12-13-19-18-5-3-2-4-17(15)18/h2-13H,1H3/b9-6+.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline?
4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline has a molecular weight of 261.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 5377590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).