2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide

C11H14N4O2 — CID 63571192

IUPAC2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H14N4O2/c1-7(11(17)14-12)15-6-10(16)13-8-4-2-3-5-9(8)15/h2-5,7H,6,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyBMOZGBRBGIJASP-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.18
Rot. Bonds2

About 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide (PubChem CID 63571192) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide
PubChem CID63571192
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C11H14N4O2/c1-7(11(17)14-12)15-6-10(16)13-8-4-2-3-5-9(8)15/h2-5,7H,6,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyBMOZGBRBGIJASP-UHFFFAOYSA-N
XLogP-0.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 4788717
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
CID 8754651
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide?
The IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide (CID 63571192) is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide?
The canonical SMILES for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide is CC(C(=O)NN)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide?
The InChIKey is BMOZGBRBGIJASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(11(17)14-12)15-6-10(16)13-8-4-2-3-5-9(8)15/h2-5,7H,6,12H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide?
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide has a molecular weight of 234.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide is sourced from PubChem (CID 63571192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).