2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline

C25H21NO2 — CID 175109611

IUPAC2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline
SMILESCOc1ccc(C=C(c2ccc(OC)cc2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H21NO2/c1-27-21-12-7-18(8-13-21)17-23(19-9-14-22(28-2)15-10-19)25-16-11-20-5-3-4-6-24(20)26-25/h3-17H,1-2H3
InChIKeyJIJWVFQMLCAUHQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.84
Rot. Bonds5

About 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline

2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline (PubChem CID 175109611) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline
PubChem CID175109611
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline
SMILESCOc1ccc(C=C(c2ccc(OC)cc2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H21NO2/c1-27-21-12-7-18(8-13-21)17-23(19-9-14-22(28-2)15-10-19)25-16-11-20-5-3-4-6-24(20)26-25/h3-17H,1-2H3
InChIKeyJIJWVFQMLCAUHQ-UHFFFAOYSA-N
XLogP5.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline?
The IUPAC name of 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline (CID 175109611) is 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline is COc1ccc(C=C(c2ccc(OC)cc2)c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline?
The InChIKey is JIJWVFQMLCAUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-27-21-12-7-18(8-13-21)17-23(19-9-14-22(28-2)15-10-19)25-16-11-20-5-3-4-6-24(20)26-25/h3-17H,1-2H3.
What are the key properties of 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline?
2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline has a molecular weight of 367.45 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(4-methoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 175109611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).