2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide

C11H9F2N3O2 — CID 54772874

IUPAC2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide
SMILESNNC(=O)COc1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C11H9F2N3O2/c12-6-1-2-7(13)11-10(6)8(3-4-15-11)18-5-9(17)16-14/h1-4H,5,14H2,(H,16,17)
InChIKeyHWSIPPKBSKRIDS-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.88
Rot. Bonds3

About 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide

2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide (PubChem CID 54772874) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide.

Molecular Properties

Compound Name2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide
PubChem CID54772874
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide
SMILESNNC(=O)COc1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C11H9F2N3O2/c12-6-1-2-7(13)11-10(6)8(3-4-15-11)18-5-9(17)16-14/h1-4H,5,14H2,(H,16,17)
InChIKeyHWSIPPKBSKRIDS-UHFFFAOYSA-N
XLogP0.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.88
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-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide?
The IUPAC name of 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide (CID 54772874) is 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide.
What is the SMILES notation for 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide?
The canonical SMILES for 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide is NNC(=O)COc1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide?
The InChIKey is HWSIPPKBSKRIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-6-1-2-7(13)11-10(6)8(3-4-15-11)18-5-9(17)16-14/h1-4H,5,14H2,(H,16,17).
What are the key properties of 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide?
2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide has a molecular weight of 253.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-difluoroquinolin-4-yl)oxyacetohydrazide is sourced from PubChem (CID 54772874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).