2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide

C13H15N3O2S — CID 944480

IUPAC2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide
SMILESCOc1ccc2nc(SCC(=O)NN)cc(C)c2c1
InChIInChI=1S/C13H15N3O2S/c1-8-5-13(19-7-12(17)16-14)15-11-4-3-9(18-2)6-10(8)11/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyJJVTWQSDQIMXRW-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds4

About 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide

2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide (PubChem CID 944480) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide
PubChem CID944480
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide
SMILESCOc1ccc2nc(SCC(=O)NN)cc(C)c2c1
InChIInChI=1S/C13H15N3O2S/c1-8-5-13(19-7-12(17)16-14)15-11-4-3-9(18-2)6-10(8)11/h3-6H,7,14H2,1-2H3,(H,16,17)
InChIKeyJJVTWQSDQIMXRW-UHFFFAOYSA-N
XLogP1.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide (CID 944480) is 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide is COc1ccc2nc(SCC(=O)NN)cc(C)c2c1.
What is the InChIKey of 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide?
The InChIKey is JJVTWQSDQIMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-5-13(19-7-12(17)16-14)15-11-4-3-9(18-2)6-10(8)11/h3-6H,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide?
2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide has a molecular weight of 277.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4-methylquinolin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 944480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).