N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide

C22H17ClN4O — CID 118731255

IUPACN'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O/c23-17-12-10-16(11-13-17)22(28)27-26-21-20(14-15-6-2-1-3-7-15)24-18-8-4-5-9-19(18)25-21/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyJYFFXLIXNHPIDX-UHFFFAOYSA-N
MW388.86 g/mol
LogP4.63
Rot. Bonds5

About N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide

N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide (PubChem CID 118731255) has the molecular formula C22H17ClN4O and a molecular weight of 388.86 g/mol. Its IUPAC name is N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide
PubChem CID118731255
Molecular FormulaC22H17ClN4O
Molecular Weight388.86 g/mol
Exact Mass388.11
IUPAC NameN'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN4O/c23-17-12-10-16(11-13-17)22(28)27-26-21-20(14-15-6-2-1-3-7-15)24-18-8-4-5-9-19(18)25-21/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyJYFFXLIXNHPIDX-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide?
The IUPAC name of N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide (CID 118731255) is N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide.
What is the SMILES notation for N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide?
The canonical SMILES for N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide is O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide?
The InChIKey is JYFFXLIXNHPIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O/c23-17-12-10-16(11-13-17)22(28)27-26-21-20(14-15-6-2-1-3-7-15)24-18-8-4-5-9-19(18)25-21/h1-13H,14H2,(H,25,26)(H,27,28).
What are the key properties of N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide?
N'-(3-benzylquinoxalin-2-yl)-4-chlorobenzohydrazide has a molecular weight of 388.86 g/mol, XLogP of 4.63, 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)-4-chlorobenzohydrazide is sourced from PubChem (CID 118731255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).