4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

C20H19NO3 — CID 5351198

IUPAC4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+
InChIKeyXPYLMRIXEKTASO-CMDGGOBGSA-N
MW321.38 g/mol
LogP4.43
Rot. Bonds5

About 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline

4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline (PubChem CID 5351198) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
PubChem CID5351198
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12
InChIInChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+
InChIKeyXPYLMRIXEKTASO-CMDGGOBGSA-N
XLogP4.43
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline (CID 5351198) is 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline is COc1cc(OC)c(OC)cc1/C=C/c1ccnc2ccccc12.
What is the InChIKey of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
The InChIKey is XPYLMRIXEKTASO-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H19NO3/c1-22-18-13-20(24-3)19(23-2)12-15(18)9-8-14-10-11-21-17-7-5-4-6-16(14)17/h4-13H,1-3H3/b9-8+.
What are the key properties of 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline?
4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline has a molecular weight of 321.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 5351198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).