4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide

C11H8F3N3O2 — CID 43826486

IUPAC4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide
SMILESNNC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-5-8(7)16-4-6(9(5)18)10(19)17-15/h1-4H,15H2,(H,16,18)(H,17,19)
InChIKeyOETNJGVZOBKJOR-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.15
Rot. Bonds1

About 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide

4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide (PubChem CID 43826486) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide
PubChem CID43826486
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide
SMILESNNC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-5-8(7)16-4-6(9(5)18)10(19)17-15/h1-4H,15H2,(H,16,18)(H,17,19)
InChIKeyOETNJGVZOBKJOR-UHFFFAOYSA-N
XLogP1.15
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide?
The IUPAC name of 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide (CID 43826486) is 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide is NNC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide?
The InChIKey is OETNJGVZOBKJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-5-8(7)16-4-6(9(5)18)10(19)17-15/h1-4H,15H2,(H,16,18)(H,17,19).
What are the key properties of 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide?
4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide has a molecular weight of 271.20 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 43826486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).