5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol

C16H9Br2Cl2N3O2 — CID 4566140

IUPAC5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
SMILESOc1c(Br)cc(Br)cc1C=NNc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/C16H9Br2Cl2N3O2/c17-8-3-7(15(24)10(18)4-8)6-21-23-13-2-1-9-11(19)5-12(20)16(25)14(9)22-13/h1-6,24-25H,(H,22,23)
InChIKeyAKTKCWWEZTUKHC-UHFFFAOYSA-N
MW505.98 g/mol
LogP5.92
Rot. Bonds3

About 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol

5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol (PubChem CID 4566140) has the molecular formula C16H9Br2Cl2N3O2 and a molecular weight of 505.98 g/mol. Its IUPAC name is 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
PubChem CID4566140
Molecular FormulaC16H9Br2Cl2N3O2
Molecular Weight505.98 g/mol
Exact Mass502.84
IUPAC Name5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
SMILESOc1c(Br)cc(Br)cc1C=NNc1ccc2c(Cl)cc(Cl)c(O)c2n1
InChIInChI=1S/C16H9Br2Cl2N3O2/c17-8-3-7(15(24)10(18)4-8)6-21-23-13-2-1-9-11(19)5-12(20)16(25)14(9)22-13/h1-6,24-25H,(H,22,23)
InChIKeyAKTKCWWEZTUKHC-UHFFFAOYSA-N
XLogP5.92
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.98
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol
CID 3632615
5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
CID 135606477
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
5-[(2Z)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 136688463
4-bromo-2-chloro-6-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 137084979
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
2-bromo-4-chloro-6-[(E)-[[2-(diethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135502998
2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137248796

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol (CID 4566140) is 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol is Oc1c(Br)cc(Br)cc1C=NNc1ccc2c(Cl)cc(Cl)c(O)c2n1.
What is the InChIKey of 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
The InChIKey is AKTKCWWEZTUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2Cl2N3O2/c17-8-3-7(15(24)10(18)4-8)6-21-23-13-2-1-9-11(19)5-12(20)16(25)14(9)22-13/h1-6,24-25H,(H,22,23).
What are the key properties of 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol has a molecular weight of 505.98 g/mol, XLogP of 5.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol is sourced from PubChem (CID 4566140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).