2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide

C16H23N3O — CID 132649653

IUPAC2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide
SMILESCC1=CC(C)(C)N(C(C)C(=O)NN)c2ccc(C)cc21
InChIInChI=1S/C16H23N3O/c1-10-6-7-14-13(8-10)11(2)9-16(4,5)19(14)12(3)15(20)18-17/h6-9,12H,17H2,1-5H3,(H,18,20)
InChIKeyXJKYQYUXKDMGRS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.38
Rot. Bonds2

About 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide

2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide (PubChem CID 132649653) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide
PubChem CID132649653
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide
SMILESCC1=CC(C)(C)N(C(C)C(=O)NN)c2ccc(C)cc21
InChIInChI=1S/C16H23N3O/c1-10-6-7-14-13(8-10)11(2)9-16(4,5)19(14)12(3)15(20)18-17/h6-9,12H,17H2,1-5H3,(H,18,20)
InChIKeyXJKYQYUXKDMGRS-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide?
The IUPAC name of 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide (CID 132649653) is 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide?
The canonical SMILES for 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide is CC1=CC(C)(C)N(C(C)C(=O)NN)c2ccc(C)cc21.
What is the InChIKey of 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide?
The InChIKey is XJKYQYUXKDMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-6-7-14-13(8-10)11(2)9-16(4,5)19(14)12(3)15(20)18-17/h6-9,12H,17H2,1-5H3,(H,18,20).
What are the key properties of 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide?
2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide has a molecular weight of 273.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,6-tetramethylquinolin-1-yl)propanehydrazide is sourced from PubChem (CID 132649653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).