2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol

C18H12BrCl2NO3 — CID 135557835

IUPAC2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
SMILESCOc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc(Br)c1O
InChIInChI=1S/C18H12BrCl2NO3/c1-25-15-7-9(6-12(19)17(15)23)2-3-10-4-5-11-13(20)8-14(21)18(24)16(11)22-10/h2-8,23-24H,1H3/b3-2+
InChIKeyLPFDAIWCBZLCMG-NSCUHMNNSA-N
MW441.11 g/mol
LogP5.89
Rot. Bonds3

About 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol

2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol (PubChem CID 135557835) has the molecular formula C18H12BrCl2NO3 and a molecular weight of 441.11 g/mol. Its IUPAC name is 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
PubChem CID135557835
Molecular FormulaC18H12BrCl2NO3
Molecular Weight441.11 g/mol
Exact Mass438.94
IUPAC Name2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
SMILESCOc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc(Br)c1O
InChIInChI=1S/C18H12BrCl2NO3/c1-25-15-7-9(6-12(19)17(15)23)2-3-10-4-5-11-13(20)8-14(21)18(24)16(11)22-10/h2-8,23-24H,1H3/b3-2+
InChIKeyLPFDAIWCBZLCMG-NSCUHMNNSA-N
XLogP5.89
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.11
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol with MolForge

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Related Compounds

5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
CID 6187033
5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
CID 71450723
5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
CID 7946493
5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol
CID 7946483
2-[2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-8-hydroxyquinoline-5,7-dicarboxylic acid
CID 136612305
methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate
CID 3909909
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 3459413
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 135593934
2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
CID 2949244
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 8019492
5-chloro-8-hydroxy-N-methyl-2-[(E)-2-phenylethenyl]quinoline-7-sulfonamide
CID 18344982
3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enal
CID 79331501

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol?
The IUPAC name of 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol (CID 135557835) is 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol is COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc(Br)c1O.
What is the InChIKey of 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol?
The InChIKey is LPFDAIWCBZLCMG-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H12BrCl2NO3/c1-25-15-7-9(6-12(19)17(15)23)2-3-10-4-5-11-13(20)8-14(21)18(24)16(11)22-10/h2-8,23-24H,1H3/b3-2+.
What are the key properties of 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol?
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol has a molecular weight of 441.11 g/mol, XLogP of 5.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol is sourced from PubChem (CID 135557835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).