imidazo[2,1-a]isoquinoline-2-carbohydrazide

C12H10N4O — CID 869249

IUPACimidazo[2,1-a]isoquinoline-2-carbohydrazide
SMILESNNC(=O)c1cn2ccc3ccccc3c2n1
InChIInChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
InChIKeyWSNWYZBDIKCPIG-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.09
Rot. Bonds1

About imidazo[2,1-a]isoquinoline-2-carbohydrazide

imidazo[2,1-a]isoquinoline-2-carbohydrazide (PubChem CID 869249) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is imidazo[2,1-a]isoquinoline-2-carbohydrazide.

Molecular Properties

Compound Nameimidazo[2,1-a]isoquinoline-2-carbohydrazide
PubChem CID869249
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Nameimidazo[2,1-a]isoquinoline-2-carbohydrazide
SMILESNNC(=O)c1cn2ccc3ccccc3c2n1
InChIInChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17)
InChIKeyWSNWYZBDIKCPIG-UHFFFAOYSA-N
XLogP1.09
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.09
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 imidazo[2,1-a]isoquinoline-2-carbohydrazide?
The IUPAC name of imidazo[2,1-a]isoquinoline-2-carbohydrazide (CID 869249) is imidazo[2,1-a]isoquinoline-2-carbohydrazide.
What is the SMILES notation for imidazo[2,1-a]isoquinoline-2-carbohydrazide?
The canonical SMILES for imidazo[2,1-a]isoquinoline-2-carbohydrazide is NNC(=O)c1cn2ccc3ccccc3c2n1.
What is the InChIKey of imidazo[2,1-a]isoquinoline-2-carbohydrazide?
The InChIKey is WSNWYZBDIKCPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17).
What are the key properties of imidazo[2,1-a]isoquinoline-2-carbohydrazide?
imidazo[2,1-a]isoquinoline-2-carbohydrazide has a molecular weight of 226.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-a]isoquinoline-2-carbohydrazide is sourced from PubChem (CID 869249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).