5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol

C15H11N3OS — CID 136791378

IUPAC5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccc(S)cc2)c2cccnc12
InChIInChI=1S/C15H11N3OS/c19-14-8-7-13(12-2-1-9-16-15(12)14)18-17-10-3-5-11(20)6-4-10/h1-9,19-20H/b18-17+
InChIKeyYRWDCNJAKKZFQC-ISLYRVAYSA-N
MW281.34 g/mol
LogP4.64
Rot. Bonds2

About 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol

5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol (PubChem CID 136791378) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol
PubChem CID136791378
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccc(S)cc2)c2cccnc12
InChIInChI=1S/C15H11N3OS/c19-14-8-7-13(12-2-1-9-16-15(12)14)18-17-10-3-5-11(20)6-4-10/h1-9,19-20H/b18-17+
InChIKeyYRWDCNJAKKZFQC-ISLYRVAYSA-N
XLogP4.64
TPSA57.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl] thiocyanate
CID 589164
(8-methylquinolin-5-yl)-phenyldiazene
CID 58482903
[4-[[8-(chlorodiazenyl)quinolin-5-yl]diazenyl]phenyl] hydrogen carbonate
CID 20796077
1-(diaminomethylidene)-2-(8-hydroxyquinolin-5-yl)guanidine
CID 23422118
5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol
CID 137235399
8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
CID 135404716
carbon dioxide;(8-methylquinolin-5-yl)-phenyldiazene
CID 123443435
8-hydroxy-7-[[5-[(4-isocyanophenyl)diazenyl]quinolin-8-yl]diazenyl]quinoline-5-sulfonic acid
CID 135974886
5-(dioxaziridin-3-yl)quinolin-8-ol
CID 51371084
8-[(2-fluorophenyl)diazenyl]quinolin-5-ol
CID 135672550
bis(8-hydroxy-5-[(4-methylphenyl)diazenyl]quinoline-7-carbaldehyde);nickel
CID 135545236
benzoic acid;(8-hydroxyquinolin-5-yl)iminoazanide;zinc
CID 174743616

Frequently Asked Questions

What is the IUPAC name of 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol?
The IUPAC name of 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol (CID 136791378) is 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol is Oc1ccc(/N=N/c2ccc(S)cc2)c2cccnc12.
What is the InChIKey of 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol?
The InChIKey is YRWDCNJAKKZFQC-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-14-8-7-13(12-2-1-9-16-15(12)14)18-17-10-3-5-11(20)6-4-10/h1-9,19-20H/b18-17+.
What are the key properties of 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol?
5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol has a molecular weight of 281.34 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-sulfanylphenyl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 136791378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).