2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide

C12H10F3N3O2 — CID 175784482

IUPAC2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESNNC(=O)COc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)7-1-2-8-9(5-7)17-4-3-10(8)20-6-11(19)18-16/h1-5H,6,16H2,(H,18,19)
InChIKeyMAVKZKPYRCCJPH-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.62
Rot. Bonds3

About 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide

2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (PubChem CID 175784482) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
PubChem CID175784482
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide
SMILESNNC(=O)COc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)7-1-2-8-9(5-7)17-4-3-10(8)20-6-11(19)18-16/h1-5H,6,16H2,(H,18,19)
InChIKeyMAVKZKPYRCCJPH-UHFFFAOYSA-N
XLogP1.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.62
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-(4-fluorophenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895257
2-(Quinolin-8-yloxy)acetamide
CID 753651
2-(4-methylphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895235
2-(2-methoxyphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6897231
N-[(E)-1-phenylethylideneamino]-2-quinolin-8-yloxyacetamide
CID 50905618
2-(4-methoxyphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6897165
2-phenoxy-N'-(8-quinolinylmethylene)acetohydrazide
CID 6897174
2-(Quinolin-8-yloxy)acetohydrazide
CID 796690
2-quinolin-8-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 2089905
2-(2-methylphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895277
N-(3,5-dimethylphenyl)-2-(6-methoxyquinolin-4-yl)oxyacetamide
CID 137636988
2-(2-methylphenoxy)-N-quinolin-6-ylacetamide
CID 155566022

Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The IUPAC name of 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide (CID 175784482) is 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide.
What is the SMILES notation for 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The canonical SMILES for 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is NNC(=O)COc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
The InChIKey is MAVKZKPYRCCJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)7-1-2-8-9(5-7)17-4-3-10(8)20-6-11(19)18-16/h1-5H,6,16H2,(H,18,19).
What are the key properties of 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide?
2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide has a molecular weight of 285.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetohydrazide is sourced from PubChem (CID 175784482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).