5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol

C17H13NO2 — CID 56837609

IUPAC5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13NO2/c19-14-9-12(10-15(20)11-14)5-6-13-7-8-18-17-4-2-1-3-16(13)17/h1-11,19-20H/b6-5+
InChIKeyYRSOXYVELWTHAE-AATRIKPKSA-N
MW263.30 g/mol
LogP3.82
Rot. Bonds2

About 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol

5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol (PubChem CID 56837609) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol
PubChem CID56837609
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(/C=C/c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13NO2/c19-14-9-12(10-15(20)11-14)5-6-13-7-8-18-17-4-2-1-3-16(13)17/h1-11,19-20H/b6-5+
InChIKeyYRSOXYVELWTHAE-AATRIKPKSA-N
XLogP3.82
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol (CID 56837609) is 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol is Oc1cc(O)cc(/C=C/c2ccnc3ccccc23)c1.
What is the InChIKey of 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol?
The InChIKey is YRSOXYVELWTHAE-AATRIKPKSA-N. The full InChI is InChI=1S/C17H13NO2/c19-14-9-12(10-15(20)11-14)5-6-13-7-8-18-17-4-2-1-3-16(13)17/h1-11,19-20H/b6-5+.
What are the key properties of 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol?
5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol has a molecular weight of 263.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diol is sourced from PubChem (CID 56837609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).