4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol

C16H12BrN3O — CID 135458678

IUPAC4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1cccc2cccnc12
InChIInChI=1S/C16H12BrN3O/c17-13-6-7-15(21)12(9-13)10-19-20-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20-21H/b19-10+
InChIKeyYODBRDORVMQDHR-VXLYETTFSA-N
MW342.20 g/mol
LogP4.15
Rot. Bonds3

About 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol

4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 135458678) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID135458678
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1cccc2cccnc12
InChIInChI=1S/C16H12BrN3O/c17-13-6-7-15(21)12(9-13)10-19-20-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20-21H/b19-10+
InChIKeyYODBRDORVMQDHR-VXLYETTFSA-N
XLogP4.15
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 135458678) is 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1cccc2cccnc12.
What is the InChIKey of 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is YODBRDORVMQDHR-VXLYETTFSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-6-7-15(21)12(9-13)10-19-20-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20-21H/b19-10+.
What are the key properties of 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol?
4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol has a molecular weight of 342.20 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135458678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).