5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol

C19H15Cl2NO2 — CID 71450723

IUPAC5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
SMILESCCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C19H15Cl2NO2/c1-2-24-14-8-4-12(5-9-14)3-6-13-7-10-15-16(20)11-17(21)19(23)18(15)22-13/h3-11,23H,2H2,1H3/b6-3+
InChIKeyKUZNJQDCWIJYLD-ZZXKWVIFSA-N
MW360.24 g/mol
LogP5.82
Rot. Bonds4

About 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol

5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 71450723) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
PubChem CID71450723
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
SMILESCCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C19H15Cl2NO2/c1-2-24-14-8-4-12(5-9-14)3-6-13-7-10-15-16(20)11-17(21)19(23)18(15)22-13/h3-11,23H,2H2,1H3/b6-3+
InChIKeyKUZNJQDCWIJYLD-ZZXKWVIFSA-N
XLogP5.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol (CID 71450723) is 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol is CCOc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1.
What is the InChIKey of 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is KUZNJQDCWIJYLD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-2-24-14-8-4-12(5-9-14)3-6-13-7-10-15-16(20)11-17(21)19(23)18(15)22-13/h3-11,23H,2H2,1H3/b6-3+.
What are the key properties of 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol?
5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 360.24 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 71450723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).