N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide

C18H15F3N4O2 — CID 68709153

IUPACN-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide
SMILESCN(NCc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H15F3N4O2/c1-25(17(26)13-4-7-15-16(10-13)23-9-8-22-15)24-11-12-2-5-14(6-3-12)27-18(19,20)21/h2-10,24H,11H2,1H3
InChIKeyQQYWJAHAMRHSMZ-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide

N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide (PubChem CID 68709153) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide.

Molecular Properties

Compound NameN-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide
PubChem CID68709153
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide
SMILESCN(NCc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H15F3N4O2/c1-25(17(26)13-4-7-15-16(10-13)23-9-8-22-15)24-11-12-2-5-14(6-3-12)27-18(19,20)21/h2-10,24H,11H2,1H3
InChIKeyQQYWJAHAMRHSMZ-UHFFFAOYSA-N
XLogP3.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.31
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 N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide?
The IUPAC name of N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide (CID 68709153) is N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide.
What is the SMILES notation for N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide?
The canonical SMILES for N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide is CN(NCc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide?
The InChIKey is QQYWJAHAMRHSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25(17(26)13-4-7-15-16(10-13)23-9-8-22-15)24-11-12-2-5-14(6-3-12)27-18(19,20)21/h2-10,24H,11H2,1H3.
What are the key properties of N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide?
N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide has a molecular weight of 376.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]quinoxaline-6-carbohydrazide is sourced from PubChem (CID 68709153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).