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

C18H15F3N4O2 — CID 3801608

IUPAC4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NN(C)c2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O2/c1-25(24-17(26)11-7-9-12(27-2)10-8-11)16-15(18(19,20)21)22-13-5-3-4-6-14(13)23-16/h3-10H,1-2H3,(H,24,26)
InChIKeyCRZSHNSTAVYLBP-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.44
Rot. Bonds4

About 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide

4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (PubChem CID 3801608) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
PubChem CID3801608
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NN(C)c2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O2/c1-25(24-17(26)11-7-9-12(27-2)10-8-11)16-15(18(19,20)21)22-13-5-3-4-6-14(13)23-16/h3-10H,1-2H3,(H,24,26)
InChIKeyCRZSHNSTAVYLBP-UHFFFAOYSA-N
XLogP3.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CID 3801608) is 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is COc1ccc(C(=O)NN(C)c2nc3ccccc3nc2C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The InChIKey is CRZSHNSTAVYLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25(24-17(26)11-7-9-12(27-2)10-8-11)16-15(18(19,20)21)22-13-5-3-4-6-14(13)23-16/h3-10H,1-2H3,(H,24,26).
What are the key properties of 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide has a molecular weight of 376.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is sourced from PubChem (CID 3801608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).