N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide

C20H15FN6O2 — CID 86704155

IUPACN'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESO=C(COc1ccnc2ccccc12)NNc1ncc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C20H15FN6O2/c21-14-7-5-13(6-8-14)17-11-23-20(26-24-17)27-25-19(28)12-29-18-9-10-22-16-4-2-1-3-15(16)18/h1-11H,12H2,(H,25,28)(H,23,26,27)
InChIKeyOVLHFHQZRIOLEI-UHFFFAOYSA-N
MW390.38 g/mol
LogP2.75
Rot. Bonds6

About N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide

N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (PubChem CID 86704155) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
PubChem CID86704155
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC NameN'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide
SMILESO=C(COc1ccnc2ccccc12)NNc1ncc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C20H15FN6O2/c21-14-7-5-13(6-8-14)17-11-23-20(26-24-17)27-25-19(28)12-29-18-9-10-22-16-4-2-1-3-15(16)18/h1-11H,12H2,(H,25,28)(H,23,26,27)
InChIKeyOVLHFHQZRIOLEI-UHFFFAOYSA-N
XLogP2.75
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The IUPAC name of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide (CID 86704155) is N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide.
What is the SMILES notation for N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The canonical SMILES for N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is O=C(COc1ccnc2ccccc12)NNc1ncc(-c2ccc(F)cc2)nn1.
What is the InChIKey of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
The InChIKey is OVLHFHQZRIOLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c21-14-7-5-13(6-8-14)17-11-23-20(26-24-17)27-25-19(28)12-29-18-9-10-22-16-4-2-1-3-15(16)18/h1-11H,12H2,(H,25,28)(H,23,26,27).
What are the key properties of N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide?
N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide has a molecular weight of 390.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-fluorophenyl)-1,2,4-triazin-3-yl]-2-quinolin-4-yloxyacetohydrazide is sourced from PubChem (CID 86704155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).