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

C22H17BrN4O — CID 118731258

IUPACN'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/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)
InChIKeyZGCWXFRDBOIAPK-UHFFFAOYSA-N
MW433.31 g/mol
LogP4.74
Rot. Bonds5

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

N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide (PubChem CID 118731258) has the molecular formula C22H17BrN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide.

Molecular Properties

Compound NameN'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide
PubChem CID118731258
Molecular FormulaC22H17BrN4O
Molecular Weight433.31 g/mol
Exact Mass432.06
IUPAC NameN'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide
SMILESO=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/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)
InChIKeyZGCWXFRDBOIAPK-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 54.74
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)-4-bromobenzohydrazide?
The IUPAC name of N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide (CID 118731258) is N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide.
What is the SMILES notation for N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide?
The canonical SMILES for N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide is O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide?
The InChIKey is ZGCWXFRDBOIAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O/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-bromobenzohydrazide?
N'-(3-benzylquinoxalin-2-yl)-4-bromobenzohydrazide has a molecular weight of 433.31 g/mol, XLogP of 4.74, 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-bromobenzohydrazide is sourced from PubChem (CID 118731258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).