6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline

C20H19NO3 — CID 10426212

IUPAC6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(/C=C\c2ccc3ncccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO3/c1-22-18-12-15(13-19(23-2)20(18)24-3)7-6-14-8-9-17-16(11-14)5-4-10-21-17/h4-13H,1-3H3/b7-6-
InChIKeyPNNBXBNYOZPREH-SREVYHEPSA-N
MW321.38 g/mol
LogP4.43
Rot. Bonds5

About 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline

6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline (PubChem CID 10426212) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
PubChem CID10426212
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline
SMILESCOc1cc(/C=C\c2ccc3ncccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO3/c1-22-18-12-15(13-19(23-2)20(18)24-3)7-6-14-8-9-17-16(11-14)5-4-10-21-17/h4-13H,1-3H3/b7-6-
InChIKeyPNNBXBNYOZPREH-SREVYHEPSA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline?
The IUPAC name of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline (CID 10426212) is 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline is COc1cc(/C=C\c2ccc3ncccc3c2)cc(OC)c1OC.
What is the InChIKey of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline?
The InChIKey is PNNBXBNYOZPREH-SREVYHEPSA-N. The full InChI is InChI=1S/C20H19NO3/c1-22-18-12-15(13-19(23-2)20(18)24-3)7-6-14-8-9-17-16(11-14)5-4-10-21-17/h4-13H,1-3H3/b7-6-.
What are the key properties of 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline?
6-[(Z)-2-(3,4,5-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 6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 10426212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).