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

C22H18N4O — CID 118731254

IUPACN'-(3-benzylquinoxalin-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N4O/c27-22(17-11-5-2-6-12-17)26-25-21-20(15-16-9-3-1-4-10-16)23-18-13-7-8-14-19(18)24-21/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyAVRZVXZYDWRHEO-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.98
Rot. Bonds5

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

N'-(3-benzylquinoxalin-2-yl)benzohydrazide (PubChem CID 118731254) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-(3-benzylquinoxalin-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-benzylquinoxalin-2-yl)benzohydrazide
PubChem CID118731254
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN'-(3-benzylquinoxalin-2-yl)benzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N4O/c27-22(17-11-5-2-6-12-17)26-25-21-20(15-16-9-3-1-4-10-16)23-18-13-7-8-14-19(18)24-21/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyAVRZVXZYDWRHEO-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.98
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)benzohydrazide?
The IUPAC name of N'-(3-benzylquinoxalin-2-yl)benzohydrazide (CID 118731254) is N'-(3-benzylquinoxalin-2-yl)benzohydrazide.
What is the SMILES notation for N'-(3-benzylquinoxalin-2-yl)benzohydrazide?
The canonical SMILES for N'-(3-benzylquinoxalin-2-yl)benzohydrazide is O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-(3-benzylquinoxalin-2-yl)benzohydrazide?
The InChIKey is AVRZVXZYDWRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(17-11-5-2-6-12-17)26-25-21-20(15-16-9-3-1-4-10-16)23-18-13-7-8-14-19(18)24-21/h1-14H,15H2,(H,24,25)(H,26,27).
What are the key properties of N'-(3-benzylquinoxalin-2-yl)benzohydrazide?
N'-(3-benzylquinoxalin-2-yl)benzohydrazide has a molecular weight of 354.41 g/mol, XLogP of 3.98, 5 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)benzohydrazide is sourced from PubChem (CID 118731254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).