2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol

C22H21NO2 — CID 4995247

IUPAC2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(C=Cc3ccc(OC4CCCC4)cc3)nc12
InChIInChI=1S/C22H21NO2/c24-21-7-3-4-17-11-13-18(23-22(17)21)12-8-16-9-14-20(15-10-16)25-19-5-1-2-6-19/h3-4,7-15,19,24H,1-2,5-6H2
InChIKeyAIQRXNDHSOVNJM-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.43
Rot. Bonds4

About 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol

2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 4995247) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol
PubChem CID4995247
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(C=Cc3ccc(OC4CCCC4)cc3)nc12
InChIInChI=1S/C22H21NO2/c24-21-7-3-4-17-11-13-18(23-22(17)21)12-8-16-9-14-20(15-10-16)25-19-5-1-2-6-19/h3-4,7-15,19,24H,1-2,5-6H2
InChIKeyAIQRXNDHSOVNJM-UHFFFAOYSA-N
XLogP5.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol (CID 4995247) is 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol is Oc1cccc2ccc(C=Cc3ccc(OC4CCCC4)cc3)nc12.
What is the InChIKey of 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is AIQRXNDHSOVNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21-7-3-4-17-11-13-18(23-22(17)21)12-8-16-9-14-20(15-10-16)25-19-5-1-2-6-19/h3-4,7-15,19,24H,1-2,5-6H2.
What are the key properties of 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol?
2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 331.42 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopentyloxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 4995247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).