2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone

C16H18N4O — CID 106773654

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone
SMILESNNc1ncc(C(=O)N2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C16H18N4O/c17-19-15-13-4-2-1-3-12(13)14(8-18-15)16(21)20-9-10-5-6-11(20)7-10/h1-4,8,10-11H,5-7,9,17H2,(H,18,19)
InChIKeyGYQBWXHQERSJON-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.14
Rot. Bonds2

About 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone (PubChem CID 106773654) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone
PubChem CID106773654
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone
SMILESNNc1ncc(C(=O)N2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C16H18N4O/c17-19-15-13-4-2-1-3-12(13)14(8-18-15)16(21)20-9-10-5-6-11(20)7-10/h1-4,8,10-11H,5-7,9,17H2,(H,18,19)
InChIKeyGYQBWXHQERSJON-UHFFFAOYSA-N
XLogP2.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone (CID 106773654) is 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone is NNc1ncc(C(=O)N2CC3CCC2C3)c2ccccc12.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone?
The InChIKey is GYQBWXHQERSJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-19-15-13-4-2-1-3-12(13)14(8-18-15)16(21)20-9-10-5-6-11(20)7-10/h1-4,8,10-11H,5-7,9,17H2,(H,18,19).
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(1-hydrazinylisoquinolin-4-yl)methanone is sourced from PubChem (CID 106773654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).