N'-(3-benzylquinoxalin-2-yl)acetohydrazide

C17H16N4O — CID 118731253

IUPACN'-(3-benzylquinoxalin-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C17H16N4O/c1-12(22)20-21-17-16(11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-17/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLQBUXRSCVPHKIR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.68
Rot. Bonds4

About N'-(3-benzylquinoxalin-2-yl)acetohydrazide

N'-(3-benzylquinoxalin-2-yl)acetohydrazide (PubChem CID 118731253) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N'-(3-benzylquinoxalin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-benzylquinoxalin-2-yl)acetohydrazide
PubChem CID118731253
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN'-(3-benzylquinoxalin-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc2ccccc2nc1Cc1ccccc1
InChIInChI=1S/C17H16N4O/c1-12(22)20-21-17-16(11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-17/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyLQBUXRSCVPHKIR-UHFFFAOYSA-N
XLogP2.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of N'-(3-benzylquinoxalin-2-yl)acetohydrazide?
The IUPAC name of N'-(3-benzylquinoxalin-2-yl)acetohydrazide (CID 118731253) is N'-(3-benzylquinoxalin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(3-benzylquinoxalin-2-yl)acetohydrazide?
The canonical SMILES for N'-(3-benzylquinoxalin-2-yl)acetohydrazide is CC(=O)NNc1nc2ccccc2nc1Cc1ccccc1.
What is the InChIKey of N'-(3-benzylquinoxalin-2-yl)acetohydrazide?
The InChIKey is LQBUXRSCVPHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12(22)20-21-17-16(11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-17/h2-10H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-benzylquinoxalin-2-yl)acetohydrazide?
N'-(3-benzylquinoxalin-2-yl)acetohydrazide has a molecular weight of 292.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-benzylquinoxalin-2-yl)acetohydrazide is sourced from PubChem (CID 118731253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).