2-quinolin-8-ylsulfanylacetohydrazide

C11H11N3OS — CID 783120

IUPAC2-quinolin-8-ylsulfanylacetohydrazide
SMILESNNC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C11H11N3OS/c12-14-10(15)7-16-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7,12H2,(H,14,15)
InChIKeyVLEPVICXHRXSDR-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.32
Rot. Bonds3

About 2-quinolin-8-ylsulfanylacetohydrazide

2-quinolin-8-ylsulfanylacetohydrazide (PubChem CID 783120) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-quinolin-8-ylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-quinolin-8-ylsulfanylacetohydrazide
PubChem CID783120
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-quinolin-8-ylsulfanylacetohydrazide
SMILESNNC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C11H11N3OS/c12-14-10(15)7-16-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7,12H2,(H,14,15)
InChIKeyVLEPVICXHRXSDR-UHFFFAOYSA-N
XLogP1.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone
CID 975656
7-Pyridin-3-yl-2H-1,4-benzothiazin-3(4H)-one
CID 25180103
N-[(E)-(4-fluorophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6880766
8-(Methylthio)quinoline
CID 698939
N-(2,4-dimethylphenyl)-2-(quinolin-8-ylsulfanyl)acetamide
CID 877413
8-Prop-2-enylsulfonylquinoline
CID 581982
quinolin-8-yl (1E)-2-oxo-N-phenylpropanehydrazonothioate
CID 5395450
N-(6-(Methylthio)quinolin-5-yl)-2-(hexylthio)decanoic acid amide
CID 9890477
N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide
CID 600113
Quinoline, 8-(vinylthio)-
CID 3042205
S-quinolin-8-yl diethylcarbamothioate
CID 651188
N-(3-pyridylmethyleneamino)-2-(8-quinolylthio)acetamide
CID 6882265

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-ylsulfanylacetohydrazide?
The IUPAC name of 2-quinolin-8-ylsulfanylacetohydrazide (CID 783120) is 2-quinolin-8-ylsulfanylacetohydrazide.
What is the SMILES notation for 2-quinolin-8-ylsulfanylacetohydrazide?
The canonical SMILES for 2-quinolin-8-ylsulfanylacetohydrazide is NNC(=O)CSc1cccc2cccnc12.
What is the InChIKey of 2-quinolin-8-ylsulfanylacetohydrazide?
The InChIKey is VLEPVICXHRXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-14-10(15)7-16-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7,12H2,(H,14,15).
What are the key properties of 2-quinolin-8-ylsulfanylacetohydrazide?
2-quinolin-8-ylsulfanylacetohydrazide has a molecular weight of 233.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-ylsulfanylacetohydrazide is sourced from PubChem (CID 783120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).