4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid

C18H11Cl2NO3 — CID 3314466

IUPAC4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C18H11Cl2NO3/c19-14-9-15(20)17(22)16-13(14)8-7-12(21-16)6-3-10-1-4-11(5-2-10)18(23)24/h1-9,22H,(H,23,24)
InChIKeyGCIXRJJXHZPDFP-UHFFFAOYSA-N
MW360.20 g/mol
LogP5.12
Rot. Bonds3

About 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid

4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid (PubChem CID 3314466) has the molecular formula C18H11Cl2NO3 and a molecular weight of 360.20 g/mol. Its IUPAC name is 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid
PubChem CID3314466
Molecular FormulaC18H11Cl2NO3
Molecular Weight360.20 g/mol
Exact Mass359.01
IUPAC Name4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1
InChIInChI=1S/C18H11Cl2NO3/c19-14-9-15(20)17(22)16-13(14)8-7-12(21-16)6-3-10-1-4-11(5-2-10)18(23)24/h1-9,22H,(H,23,24)
InChIKeyGCIXRJJXHZPDFP-UHFFFAOYSA-N
XLogP5.12
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.20
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-ethylphenyl)ethenyl]quinolin-8-ol
CID 7946483
5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
CID 7946493
5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
CID 71450723
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
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
CID 141228959
5-chloro-8-hydroxy-N-methyl-2-[(E)-2-phenylethenyl]quinoline-7-sulfonamide
CID 18344982
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 135557835
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 135860607
2-[2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-8-hydroxyquinoline-5,7-dicarboxylic acid
CID 136612305

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid?
The IUPAC name of 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid (CID 3314466) is 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid.
What is the SMILES notation for 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid?
The canonical SMILES for 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid is O=C(O)c1ccc(C=Cc2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1.
What is the InChIKey of 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid?
The InChIKey is GCIXRJJXHZPDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO3/c19-14-9-15(20)17(22)16-13(14)8-7-12(21-16)6-3-10-1-4-11(5-2-10)18(23)24/h1-9,22H,(H,23,24).
What are the key properties of 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid?
4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid has a molecular weight of 360.20 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]benzoic acid is sourced from PubChem (CID 3314466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).