2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide

C17H16N4O2 — CID 164615411

IUPAC2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c18-20-16(22)11-21-15-9-5-4-8-13(15)19-14(17(21)23)10-12-6-2-1-3-7-12/h1-9H,10-11,18H2,(H,20,22)
InChIKeyZMRBCOBQZPIOLQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.98
Rot. Bonds4

About 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide

2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide (PubChem CID 164615411) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide
PubChem CID164615411
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide
SMILESNNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c18-20-16(22)11-21-15-9-5-4-8-13(15)19-14(17(21)23)10-12-6-2-1-3-7-12/h1-9H,10-11,18H2,(H,20,22)
InChIKeyZMRBCOBQZPIOLQ-UHFFFAOYSA-N
XLogP0.98
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Benzyl-3-hydroxyquinoxaline
CID 659725
3-(2-Phenylethyl)-1H-quinoxalin-2-one
CID 4884003
3-[azido(phenyl)methyl]-1H-quinoxalin-2-one
CID 4262136
1-Benzyl-3-propylquinoxalin-2-one
CID 10826458
2-[3-(2-Acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-YL]-N-(4-ethylphenyl)acetamide
CID 16016374
N-{3-[Ethyl(phenyl)amino]propyl}-2-[3-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]acetamide
CID 16034264
2-(3-Benzyl-2-oxoquinoxalin-1-yl)acetic acid
CID 72724183
2-[2-Oxo-3-(2-phenylethyl)quinoxalin-1-yl]acetic acid
CID 90676004
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-methylbenzohydrazide
CID 118731259
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-chlorobenzohydrazide
CID 118731260
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-bromobenzohydrazide
CID 118731261
N'-[2-(3-benzyl-2-oxoquinoxalin-1-yl)acetyl]-4-nitrobenzohydrazide
CID 118731262

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide?
The IUPAC name of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide (CID 164615411) is 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide is NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide?
The InChIKey is ZMRBCOBQZPIOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-20-16(22)11-21-15-9-5-4-8-13(15)19-14(17(21)23)10-12-6-2-1-3-7-12/h1-9H,10-11,18H2,(H,20,22).
What are the key properties of 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide?
2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide has a molecular weight of 308.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoquinoxalin-1-yl)acetohydrazide is sourced from PubChem (CID 164615411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).