5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol

C17H13Cl2N3O3 — CID 135606477

IUPAC5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
SMILESCOc1cccc(/C=N/Nc2ccc3c(Cl)cc(Cl)c(O)c3n2)c1O
InChIInChI=1S/C17H13Cl2N3O3/c1-25-13-4-2-3-9(16(13)23)8-20-22-14-6-5-10-11(18)7-12(19)17(24)15(10)21-14/h2-8,23-24H,1H3,(H,21,22)/b20-8+
InChIKeyCBJIXQCZPHXPAQ-DNTJNYDQSA-N
MW378.22 g/mol
LogP4.41
Rot. Bonds4

About 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol

5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol (PubChem CID 135606477) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
PubChem CID135606477
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
SMILESCOc1cccc(/C=N/Nc2ccc3c(Cl)cc(Cl)c(O)c3n2)c1O
InChIInChI=1S/C17H13Cl2N3O3/c1-25-13-4-2-3-9(16(13)23)8-20-22-14-6-5-10-11(18)7-12(19)17(24)15(10)21-14/h2-8,23-24H,1H3,(H,21,22)/b20-8+
InChIKeyCBJIXQCZPHXPAQ-DNTJNYDQSA-N
XLogP4.41
TPSA86.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5,7-dichloro-2-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
CID 4566140
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
2-[2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-5,7-dichloroquinolin-8-ol
CID 3632615
2-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135822187
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7416481
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135650334
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
CID 137279180
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol (CID 135606477) is 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol is COc1cccc(/C=N/Nc2ccc3c(Cl)cc(Cl)c(O)c3n2)c1O.
What is the InChIKey of 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
The InChIKey is CBJIXQCZPHXPAQ-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-25-13-4-2-3-9(16(13)23)8-20-22-14-6-5-10-11(18)7-12(19)17(24)15(10)21-14/h2-8,23-24H,1H3,(H,21,22)/b20-8+.
What are the key properties of 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol?
5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol has a molecular weight of 378.22 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol is sourced from PubChem (CID 135606477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).