2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol

C18H14BrNO3 — CID 135500758

IUPAC2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol
SMILESCOc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O
InChIInChI=1S/C18H14BrNO3/c1-23-16-10-13(19)9-12(18(16)22)6-8-14-7-5-11-3-2-4-15(21)17(11)20-14/h2-10,21-22H,1H3/b8-6+
InChIKeyGPCFTESENMCTSY-SOFGYWHQSA-N
MW372.22 g/mol
LogP4.59
Rot. Bonds3

About 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol

2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol (PubChem CID 135500758) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol
PubChem CID135500758
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Name2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol
SMILESCOc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O
InChIInChI=1S/C18H14BrNO3/c1-23-16-10-13(19)9-12(18(16)22)6-8-14-7-5-11-3-2-4-15(21)17(11)20-14/h2-10,21-22H,1H3/b8-6+
InChIKeyGPCFTESENMCTSY-SOFGYWHQSA-N
XLogP4.59
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 136765269
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
2-[2-(2-bromo-5-ethoxy-4-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 2966233
2-[2-(2-methylphenyl)ethenyl]quinolin-8-ol
CID 2922355
[4-bromo-2-methoxy-6-(2-quinolin-2-ylethenyl)phenyl] acetate
CID 2953724
2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]quinolin-8-ol
CID 24628167
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4815960
4-bromo-2-methoxy-6-(3-sulfanylprop-1-enyl)phenol
CID 169456438
[2-bromo-4-chloro-6-[2-(8-methoxyquinolin-2-yl)ethenyl]phenyl] acetate
CID 2949467
(E)-4-(5-bromo-2-hydroxy-3-methoxyphenyl)but-3-en-2-one
CID 14509484
2-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]quinolin-8-ol
CID 141481161
2-[2-(3-chlorophenyl)ethenyl]quinolin-8-ol
CID 71412917

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol (CID 135500758) is 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol is COc1cc(Br)cc(/C=C/c2ccc3cccc(O)c3n2)c1O.
What is the InChIKey of 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol?
The InChIKey is GPCFTESENMCTSY-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-23-16-10-13(19)9-12(18(16)22)6-8-14-7-5-11-3-2-4-15(21)17(11)20-14/h2-10,21-22H,1H3/b8-6+.
What are the key properties of 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol?
2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol has a molecular weight of 372.22 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 135500758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).