2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol

C16H11BrClN3O — CID 136914182

IUPAC2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(Cl)cc1/C=N\Nc1cccc2cccnc12
InChIInChI=1S/C16H11BrClN3O/c17-13-8-12(18)7-11(16(13)22)9-20-21-14-5-1-3-10-4-2-6-19-15(10)14/h1-9,21-22H/b20-9-
InChIKeyFNSSLIOIYLELSY-UKWGHVSLSA-N
MW376.64 g/mol
LogP4.80
Rot. Bonds3

About 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol

2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 136914182) has the molecular formula C16H11BrClN3O and a molecular weight of 376.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID136914182
Molecular FormulaC16H11BrClN3O
Molecular Weight376.64 g/mol
Exact Mass374.98
IUPAC Name2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(Cl)cc1/C=N\Nc1cccc2cccnc12
InChIInChI=1S/C16H11BrClN3O/c17-13-8-12(18)7-11(16(13)22)9-20-21-14-5-1-3-10-4-2-6-19-15(10)14/h1-9,21-22H/b20-9-
InChIKeyFNSSLIOIYLELSY-UKWGHVSLSA-N
XLogP4.80
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-quinolin-8-ylthiourea
CID 136766500
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
2-bromo-4-chloro-6-[(E)-[[2-(diethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135502998
2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7640513
3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136718416

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 136914182) is 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol is Oc1c(Br)cc(Cl)cc1/C=N\Nc1cccc2cccnc12.
What is the InChIKey of 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is FNSSLIOIYLELSY-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H11BrClN3O/c17-13-8-12(18)7-11(16(13)22)9-20-21-14-5-1-3-10-4-2-6-19-15(10)14/h1-9,21-22H/b20-9-.
What are the key properties of 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol has a molecular weight of 376.64 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 136914182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).