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

C23H20N4O2 — CID 118731256

IUPACN'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3ccccc3nc2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-13-11-17(12-14-18)23(28)27-26-22-21(15-16-7-3-2-4-8-16)24-19-9-5-6-10-20(19)25-22/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyFEBPELUCZLYFFZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.99
Rot. Bonds6

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

N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide (PubChem CID 118731256) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide
PubChem CID118731256
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc3ccccc3nc2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-18-13-11-17(12-14-18)23(28)27-26-22-21(15-16-7-3-2-4-8-16)24-19-9-5-6-10-20(19)25-22/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyFEBPELUCZLYFFZ-UHFFFAOYSA-N
XLogP3.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.99
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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Related Compounds

N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
N-[4-benzyl-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744189
4-methoxy-N'-(4-methyl-6-phenylpyridazin-3-yl)benzohydrazide
CID 6410483
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide
CID 70662806
N'-(3-chloroquinoxalin-2-yl)benzohydrazide
CID 15163975
N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide
CID 176530248
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151774
6-[[(4-methoxybenzoyl)amino]carbamoyl]pyridine-3-carboxylic acid
CID 167976818

Frequently Asked Questions

What is the IUPAC name of N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide?
The IUPAC name of N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide (CID 118731256) is N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2nc3ccccc3nc2Cc2ccccc2)cc1.
What is the InChIKey of N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide?
The InChIKey is FEBPELUCZLYFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-18-13-11-17(12-14-18)23(28)27-26-22-21(15-16-7-3-2-4-8-16)24-19-9-5-6-10-20(19)25-22/h2-14H,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide?
N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide has a molecular weight of 384.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide is sourced from PubChem (CID 118731256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).