8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline

C26H23NO2 — CID 102359192

IUPAC8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline
SMILESCOc1ccc(/C=C(/Cc2cccc3cccnc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23NO2/c1-28-24-12-8-19(9-13-24)17-23(20-10-14-25(29-2)15-11-20)18-22-6-3-5-21-7-4-16-27-26(21)22/h3-17H,18H2,1-2H3/b23-17-
InChIKeySHPZNQQKRDEQDC-QJOMJCCJSA-N
MW381.48 g/mol
LogP6.04
Rot. Bonds6

About 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline

8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline (PubChem CID 102359192) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline.

Molecular Properties

Compound Name8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline
PubChem CID102359192
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline
SMILESCOc1ccc(/C=C(/Cc2cccc3cccnc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23NO2/c1-28-24-12-8-19(9-13-24)17-23(20-10-14-25(29-2)15-11-20)18-22-6-3-5-21-7-4-16-27-26(21)22/h3-17H,18H2,1-2H3/b23-17-
InChIKeySHPZNQQKRDEQDC-QJOMJCCJSA-N
XLogP6.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.04
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 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline?
The IUPAC name of 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline (CID 102359192) is 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline.
What is the SMILES notation for 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline?
The canonical SMILES for 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline is COc1ccc(/C=C(/Cc2cccc3cccnc23)c2ccc(OC)cc2)cc1.
What is the InChIKey of 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline?
The InChIKey is SHPZNQQKRDEQDC-QJOMJCCJSA-N. The full InChI is InChI=1S/C26H23NO2/c1-28-24-12-8-19(9-13-24)17-23(20-10-14-25(29-2)15-11-20)18-22-6-3-5-21-7-4-16-27-26(21)22/h3-17H,18H2,1-2H3/b23-17-.
What are the key properties of 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline?
8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline has a molecular weight of 381.48 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline is sourced from PubChem (CID 102359192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).