2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol

C20H14N2O2 — CID 135493458

IUPAC2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3ccc4cccc(O)c4n3)nc12
InChIInChI=1S/C20H14N2O2/c23-17-5-1-3-13-7-9-15(21-19(13)17)11-12-16-10-8-14-4-2-6-18(24)20(14)22-16/h1-12,23-24H/b12-11+
InChIKeyVLHRWFKWETULPS-VAWYXSNFSA-N
MW314.34 g/mol
LogP4.36
Rot. Bonds2

About 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol

2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol (PubChem CID 135493458) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol
PubChem CID135493458
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=C/c3ccc4cccc(O)c4n3)nc12
InChIInChI=1S/C20H14N2O2/c23-17-5-1-3-13-7-9-15(21-19(13)17)11-12-16-10-8-14-4-2-6-18(24)20(14)22-16/h1-12,23-24H/b12-11+
InChIKeyVLHRWFKWETULPS-VAWYXSNFSA-N
XLogP4.36
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol (CID 135493458) is 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol is Oc1cccc2ccc(/C=C/c3ccc4cccc(O)c4n3)nc12.
What is the InChIKey of 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol?
The InChIKey is VLHRWFKWETULPS-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-17-5-1-3-13-7-9-15(21-19(13)17)11-12-16-10-8-14-4-2-6-18(24)20(14)22-16/h1-12,23-24H/b12-11+.
What are the key properties of 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol?
2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol has a molecular weight of 314.34 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(8-hydroxyquinolin-2-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 135493458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).