3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one

C16H13F3N4O2 — CID 19421407

IUPAC3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one
SMILESNNc1nc2ccc(C(F)(F)F)cc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)11-6-7-12-13(8-11)23(15(24)14(21-12)22-20)25-9-10-4-2-1-3-5-10/h1-8H,9,20H2,(H,21,22)
InChIKeyWTTWEYICNPJADJ-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.33
Rot. Bonds4

About 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one

3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one (PubChem CID 19421407) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one
PubChem CID19421407
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one
SMILESNNc1nc2ccc(C(F)(F)F)cc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)11-6-7-12-13(8-11)23(15(24)14(21-12)22-20)25-9-10-4-2-1-3-5-10/h1-8H,9,20H2,(H,21,22)
InChIKeyWTTWEYICNPJADJ-UHFFFAOYSA-N
XLogP2.33
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one (CID 19421407) is 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one is NNc1nc2ccc(C(F)(F)F)cc2n(OCc2ccccc2)c1=O.
What is the InChIKey of 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
The InChIKey is WTTWEYICNPJADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c17-16(18,19)11-6-7-12-13(8-11)23(15(24)14(21-12)22-20)25-9-10-4-2-1-3-5-10/h1-8H,9,20H2,(H,21,22).
What are the key properties of 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one?
3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 350.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-1-phenylmethoxy-7-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 19421407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).