2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol

C16H11Br2N3O — CID 3093103

IUPAC2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=NNc1cccc2cccnc12
InChIInChI=1S/C16H11Br2N3O/c17-12-7-11(16(22)13(18)8-12)9-20-21-14-5-1-3-10-4-2-6-19-15(10)14/h1-9,21-22H
InChIKeyJXUBXAVUEGJYCE-UHFFFAOYSA-N
MW421.09 g/mol
LogP4.91
Rot. Bonds3

About 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol

2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol (PubChem CID 3093103) has the molecular formula C16H11Br2N3O and a molecular weight of 421.09 g/mol. Its IUPAC name is 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
PubChem CID3093103
Molecular FormulaC16H11Br2N3O
Molecular Weight421.09 g/mol
Exact Mass418.93
IUPAC Name2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=NNc1cccc2cccnc12
InChIInChI=1S/C16H11Br2N3O/c17-12-7-11(16(22)13(18)8-12)9-20-21-14-5-1-3-10-4-2-6-19-15(10)14/h1-9,21-22H
InChIKeyJXUBXAVUEGJYCE-UHFFFAOYSA-N
XLogP4.91
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.09
LogP ≤ 54.91
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-bromo-4-chloro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136914182
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
(2S)-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136909081
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
2-[2-[4-bromo-2-[(E)-(quinolin-8-ylhydrazinylidene)methyl]phenyl]cyclobutyl]acetic acid
CID 143458429
3,5-ditert-butyl-2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 136718416
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
2-[2-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7640513

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol (CID 3093103) is 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol is Oc1c(Br)cc(Br)cc1C=NNc1cccc2cccnc12.
What is the InChIKey of 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
The InChIKey is JXUBXAVUEGJYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N3O/c17-12-7-11(16(22)13(18)8-12)9-20-21-14-5-1-3-10-4-2-6-19-15(10)14/h1-9,21-22H.
What are the key properties of 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol?
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol has a molecular weight of 421.09 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 3093103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).