2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol

C17H11Br2NO2 — CID 136765269

IUPAC2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
SMILESOc1c(Br)cc(Br)cc1/C=C\c1ccc2cccc(O)c2n1
InChIInChI=1S/C17H11Br2NO2/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-
InChIKeyRPWDPJBSGSHYCB-ALCCZGGFSA-N
MW421.09 g/mol
LogP5.34
Rot. Bonds2

About 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol

2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 136765269) has the molecular formula C17H11Br2NO2 and a molecular weight of 421.09 g/mol. Its IUPAC name is 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
PubChem CID136765269
Molecular FormulaC17H11Br2NO2
Molecular Weight421.09 g/mol
Exact Mass418.92
IUPAC Name2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
SMILESOc1c(Br)cc(Br)cc1/C=C\c1ccc2cccc(O)c2n1
InChIInChI=1S/C17H11Br2NO2/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-
InChIKeyRPWDPJBSGSHYCB-ALCCZGGFSA-N
XLogP5.34
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.09
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol
CID 135500758
2-[2-(2-bromo-5-ethoxy-4-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 2966233
2-[2-(2-methylphenyl)ethenyl]quinolin-8-ol
CID 2922355
2-[(3-bromophenyl)iminomethyl]quinolin-8-ol
CID 172994191
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
2-[2-(3-chlorophenyl)ethenyl]quinolin-8-ol
CID 71412917
2-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]quinolin-8-ol
CID 141481161
3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 136777396
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]quinolin-8-ol
CID 24628167
2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol chloride
CID 135534383
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol (CID 136765269) is 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol is Oc1c(Br)cc(Br)cc1/C=C\c1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is RPWDPJBSGSHYCB-ALCCZGGFSA-N. The full InChI is InChI=1S/C17H11Br2NO2/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-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol?
2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 421.09 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 136765269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).