2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide

C12H12FN3O2 — CID 54772781

IUPAC2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide
SMILESCc1cc(F)cc2c(OCC(=O)NN)ccnc12
InChIInChI=1S/C12H12FN3O2/c1-7-4-8(13)5-9-10(2-3-15-12(7)9)18-6-11(17)16-14/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyUBKZUDUGXHZBFI-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.05
Rot. Bonds3

About 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide

2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide (PubChem CID 54772781) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide.

Molecular Properties

Compound Name2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide
PubChem CID54772781
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide
SMILESCc1cc(F)cc2c(OCC(=O)NN)ccnc12
InChIInChI=1S/C12H12FN3O2/c1-7-4-8(13)5-9-10(2-3-15-12(7)9)18-6-11(17)16-14/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyUBKZUDUGXHZBFI-UHFFFAOYSA-N
XLogP1.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide?
The IUPAC name of 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide (CID 54772781) is 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide.
What is the SMILES notation for 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide?
The canonical SMILES for 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide is Cc1cc(F)cc2c(OCC(=O)NN)ccnc12.
What is the InChIKey of 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide?
The InChIKey is UBKZUDUGXHZBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-4-8(13)5-9-10(2-3-15-12(7)9)18-6-11(17)16-14/h2-5H,6,14H2,1H3,(H,16,17).
What are the key properties of 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide?
2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide has a molecular weight of 249.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-8-methylquinolin-4-yl)oxyacetohydrazide is sourced from PubChem (CID 54772781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).