2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide

C11H9F2N3O2 — CID 46397786

IUPAC2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1ccc(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C11H9F2N3O2/c12-6-3-7-9(17)1-2-16(5-10(18)15-14)11(7)8(13)4-6/h1-4H,5,14H2,(H,15,18)
InChIKeyYRXYHAYWQUKXOD-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.27
Rot. Bonds2

About 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide

2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide (PubChem CID 46397786) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide
PubChem CID46397786
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1ccc(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C11H9F2N3O2/c12-6-3-7-9(17)1-2-16(5-10(18)15-14)11(7)8(13)4-6/h1-4H,5,14H2,(H,15,18)
InChIKeyYRXYHAYWQUKXOD-UHFFFAOYSA-N
XLogP0.27
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.27
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

2-(6,8-difluoro-4-oxoquinolin-1-yl)acetic acid
CID 46397780
2-(6,8-dimethyl-4-oxoquinolin-1-yl)acetohydrazide
CID 46397884
2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 43833298
2-(8-fluoro-4-oxoquinolin-1-yl)-N-pyridin-4-ylacetamide
CID 43832572
N-(2-ethylphenyl)-2-(8-fluoro-4-oxoquinolin-1-yl)acetamide
CID 43832820
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(6-fluoro-4-oxoquinolin-1-yl)-N-naphthalen-1-ylacetamide
CID 100743004
2-(2-oxo-1,3-thiazol-3-yl)acetohydrazide
CID 63578715
N-(5-chloro-2-methoxyphenyl)-2-(6-fluoro-4-oxoquinolin-1-yl)acetamide
CID 100743429
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
CID 53264328

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide?
The IUPAC name of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide (CID 46397786) is 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide?
The canonical SMILES for 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide is NNC(=O)Cn1ccc(=O)c2cc(F)cc(F)c21.
What is the InChIKey of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide?
The InChIKey is YRXYHAYWQUKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-6-3-7-9(17)1-2-16(5-10(18)15-14)11(7)8(13)4-6/h1-4H,5,14H2,(H,15,18).
What are the key properties of 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide?
2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide has a molecular weight of 253.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-4-oxoquinolin-1-yl)acetohydrazide is sourced from PubChem (CID 46397786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).