N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

C17H13F3N4O — CID 3326253

IUPACN'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCN(NC(=O)c1ccccc1)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C17H13F3N4O/c1-24(23-16(25)11-7-3-2-4-8-11)15-14(17(18,19)20)21-12-9-5-6-10-13(12)22-15/h2-10H,1H3,(H,23,25)
InChIKeyAPBQDWKUBBNJPU-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.43
Rot. Bonds3

About N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (PubChem CID 3326253) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
PubChem CID3326253
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC NameN'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCN(NC(=O)c1ccccc1)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C17H13F3N4O/c1-24(23-16(25)11-7-3-2-4-8-11)15-14(17(18,19)20)21-12-9-5-6-10-13(12)22-15/h2-10H,1H3,(H,23,25)
InChIKeyAPBQDWKUBBNJPU-UHFFFAOYSA-N
XLogP3.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The IUPAC name of N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CID 3326253) is N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.
What is the SMILES notation for N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The canonical SMILES for N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is CN(NC(=O)c1ccccc1)c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The InChIKey is APBQDWKUBBNJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-24(23-16(25)11-7-3-2-4-8-11)15-14(17(18,19)20)21-12-9-5-6-10-13(12)22-15/h2-10H,1H3,(H,23,25).
What are the key properties of N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide has a molecular weight of 346.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is sourced from PubChem (CID 3326253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).