2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol

C17H11Cl2NO2 — CID 135433277

IUPAC2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)cc1/C=C/c1ccc2cccc(O)c2n1
InChIInChI=1S/C17H11Cl2NO2/c18-12-8-11(17(22)14(19)9-12)5-7-13-6-4-10-2-1-3-15(21)16(10)20-13/h1-9,21-22H/b7-5+
InChIKeyVCMZBCVKYFLYBH-FNORWQNLSA-N
MW332.19 g/mol
LogP5.12
Rot. Bonds2

About 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol

2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 135433277) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol
PubChem CID135433277
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)cc1/C=C/c1ccc2cccc(O)c2n1
InChIInChI=1S/C17H11Cl2NO2/c18-12-8-11(17(22)14(19)9-12)5-7-13-6-4-10-2-1-3-15(21)16(10)20-13/h1-9,21-22H/b7-5+
InChIKeyVCMZBCVKYFLYBH-FNORWQNLSA-N
XLogP5.12
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.19
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol (CID 135433277) is 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol is Oc1c(Cl)cc(Cl)cc1/C=C/c1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is VCMZBCVKYFLYBH-FNORWQNLSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-12-8-11(17(22)14(19)9-12)5-7-13-6-4-10-2-1-3-15(21)16(10)20-13/h1-9,21-22H/b7-5+.
What are the key properties of 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 332.19 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,5-dichloro-2-hydroxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 135433277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).