2-quinolin-4-ylsulfanylacetohydrazide

C11H11N3OS — CID 57355260

IUPAC2-quinolin-4-ylsulfanylacetohydrazide
SMILESNNC(=O)CSc1ccnc2ccccc12
InChIInChI=1S/C11H11N3OS/c12-14-11(15)7-16-10-5-6-13-9-4-2-1-3-8(9)10/h1-6H,7,12H2,(H,14,15)
InChIKeyOHRFIYJVBXXKSG-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.32
Rot. Bonds3

About 2-quinolin-4-ylsulfanylacetohydrazide

2-quinolin-4-ylsulfanylacetohydrazide (PubChem CID 57355260) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-quinolin-4-ylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-quinolin-4-ylsulfanylacetohydrazide
PubChem CID57355260
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-quinolin-4-ylsulfanylacetohydrazide
SMILESNNC(=O)CSc1ccnc2ccccc12
InChIInChI=1S/C11H11N3OS/c12-14-11(15)7-16-10-5-6-13-9-4-2-1-3-8(9)10/h1-6H,7,12H2,(H,14,15)
InChIKeyOHRFIYJVBXXKSG-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

methyl 2-methyl-3-quinolin-4-ylsulfanylpropanoate
CID 66115356
N-[4-(azepan-1-yl)phenyl]-2-quinolin-4-ylsulfanylacetamide
CID 56583690
1-(4-propan-2-ylphenyl)-2-quinolin-4-ylsulfanylethanone
CID 18790524
2-methyl-3-quinolin-4-ylsulfanylpropan-1-ol
CID 66105524
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-quinolin-4-ylsulfanylacetamide
CID 56583238
N-(2-acetylphenyl)-4-quinolin-4-ylsulfanylbutanamide
CID 56528744
ethyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate
CID 15458327
1-[4-[(4-methoxyphenyl)methoxy]phenyl]-2-quinolin-4-ylsulfanylethanone
CID 18790583
2-(2-quinolin-4-ylethyl)benzohydrazide
CID 70948892
4-(disulfanyl)quinoline
CID 123289875
2-phenylsulfanylacetohydrazide
CID 7037418
phenyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperazine-1-carboxylate
CID 18790523

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-ylsulfanylacetohydrazide?
The IUPAC name of 2-quinolin-4-ylsulfanylacetohydrazide (CID 57355260) is 2-quinolin-4-ylsulfanylacetohydrazide.
What is the SMILES notation for 2-quinolin-4-ylsulfanylacetohydrazide?
The canonical SMILES for 2-quinolin-4-ylsulfanylacetohydrazide is NNC(=O)CSc1ccnc2ccccc12.
What is the InChIKey of 2-quinolin-4-ylsulfanylacetohydrazide?
The InChIKey is OHRFIYJVBXXKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-14-11(15)7-16-10-5-6-13-9-4-2-1-3-8(9)10/h1-6H,7,12H2,(H,14,15).
What are the key properties of 2-quinolin-4-ylsulfanylacetohydrazide?
2-quinolin-4-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-4-ylsulfanylacetohydrazide is sourced from PubChem (CID 57355260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).