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

C17H13F3N4O — CID 3774974

IUPAC4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCc1ccc(C(=O)NNc2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O/c1-10-6-8-11(9-7-10)16(25)24-23-15-14(17(18,19)20)21-12-4-2-3-5-13(12)22-15/h2-9H,1H3,(H,22,23)(H,24,25)
InChIKeyBVCZGXVSOJTABW-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.71
Rot. Bonds3

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

4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (PubChem CID 3774974) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
PubChem CID3774974
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCc1ccc(C(=O)NNc2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O/c1-10-6-8-11(9-7-10)16(25)24-23-15-14(17(18,19)20)21-12-4-2-3-5-13(12)22-15/h2-9H,1H3,(H,22,23)(H,24,25)
InChIKeyBVCZGXVSOJTABW-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 1470918
CID 1470918
CID 118731253
CID 118731253
CID 118731254
CID 118731254
CID 118731255
CID 118731255
CID 118731258
CID 118731258
CID 3326253
CID 3326253
CID 4322148
CID 4322148
CID 4341782
CID 4341782
CID 156019587
CID 156019587
CID 44422189
CID 44422189
CID 166450613
CID 166450613
CID 166450661
CID 166450661

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CID 3774974) is 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is Cc1ccc(C(=O)NNc2nc3ccccc3nc2C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The InChIKey is BVCZGXVSOJTABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-10-6-8-11(9-7-10)16(25)24-23-15-14(17(18,19)20)21-12-4-2-3-5-13(12)22-15/h2-9H,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide has a molecular weight of 346.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is sourced from PubChem (CID 3774974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).