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

C17H13F3N4O2 — CID 4313749

IUPAC4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O2/c1-26-11-8-6-10(7-9-11)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)
InChIKeySRFSICKEXHCLNB-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.41
Rot. Bonds4

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

4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (PubChem CID 4313749) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
PubChem CID4313749
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3ccccc3nc2C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O2/c1-26-11-8-6-10(7-9-11)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)
InChIKeySRFSICKEXHCLNB-UHFFFAOYSA-N
XLogP3.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.41
H-Bond Donors ≤ 52
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'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide (CID 4313749) is 4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is COc1ccc(C(=O)NNc2nc3ccccc3nc2C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
The InChIKey is SRFSICKEXHCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-26-11-8-6-10(7-9-11)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-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide?
4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide has a molecular weight of 362.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[3-(trifluoromethyl)quinoxalin-2-yl]benzohydrazide is sourced from PubChem (CID 4313749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).