2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide

C11H11BrN4O2 — CID 122189745

IUPAC2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
SMILESCc1nc2cc(Br)ccc2n(CC(=O)NN)c1=O
InChIInChI=1S/C11H11BrN4O2/c1-6-11(18)16(5-10(17)15-13)9-3-2-7(12)4-8(9)14-6/h2-4H,5,13H2,1H3,(H,15,17)
InChIKeyFTWHHDBPABYGFS-UHFFFAOYSA-N
MW311.14 g/mol
LogP0.46
Rot. Bonds2

About 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide

2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide (PubChem CID 122189745) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
PubChem CID122189745
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
SMILESCc1nc2cc(Br)ccc2n(CC(=O)NN)c1=O
InChIInChI=1S/C11H11BrN4O2/c1-6-11(18)16(5-10(17)15-13)9-3-2-7(12)4-8(9)14-6/h2-4H,5,13H2,1H3,(H,15,17)
InChIKeyFTWHHDBPABYGFS-UHFFFAOYSA-N
XLogP0.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide?
The IUPAC name of 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide (CID 122189745) is 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide?
The canonical SMILES for 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide is Cc1nc2cc(Br)ccc2n(CC(=O)NN)c1=O.
What is the InChIKey of 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide?
The InChIKey is FTWHHDBPABYGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-6-11(18)16(5-10(17)15-13)9-3-2-7(12)4-8(9)14-6/h2-4H,5,13H2,1H3,(H,15,17).
What are the key properties of 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide?
2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide has a molecular weight of 311.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide is sourced from PubChem (CID 122189745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).