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

C12H18N4O — CID 63776813

IUPAC3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
SMILESCN1CCN(CCC(=O)NN)c2ccccc21
InChIInChI=1S/C12H18N4O/c1-15-8-9-16(7-6-12(17)14-13)11-5-3-2-4-10(11)15/h2-5H,6-9,13H2,1H3,(H,14,17)
InChIKeyNXNLXMBRODRFAS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.32
Rot. Bonds3

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

3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide (PubChem CID 63776813) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
PubChem CID63776813
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
SMILESCN1CCN(CCC(=O)NN)c2ccccc21
InChIInChI=1S/C12H18N4O/c1-15-8-9-16(7-6-12(17)14-13)11-5-3-2-4-10(11)15/h2-5H,6-9,13H2,1H3,(H,14,17)
InChIKeyNXNLXMBRODRFAS-UHFFFAOYSA-N
XLogP0.32
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide?
The IUPAC name of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide (CID 63776813) is 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide is CN1CCN(CCC(=O)NN)c2ccccc21.
What is the InChIKey of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide?
The InChIKey is NXNLXMBRODRFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-8-9-16(7-6-12(17)14-13)11-5-3-2-4-10(11)15/h2-5H,6-9,13H2,1H3,(H,14,17).
What are the key properties of 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide?
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide has a molecular weight of 234.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide is sourced from PubChem (CID 63776813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).