6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride

C12H10ClN3O2 — CID 23364586

IUPAC6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride
SMILESCl.NNc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C12H9N3O2.ClH/c13-15-9-5-4-8-10-6(9)2-1-3-7(10)11(16)14-12(8)17;/h1-5,15H,13H2,(H,14,16,17);1H
InChIKeyMRYJSOGJMUWTPR-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.43
Rot. Bonds1

About 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride

6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride (PubChem CID 23364586) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride.

Molecular Properties

Compound Name6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride
PubChem CID23364586
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride
SMILESCl.NNc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C12H9N3O2.ClH/c13-15-9-5-4-8-10-6(9)2-1-3-7(10)11(16)14-12(8)17;/h1-5,15H,13H2,(H,14,16,17);1H
InChIKeyMRYJSOGJMUWTPR-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride?
The IUPAC name of 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride (CID 23364586) is 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride.
What is the SMILES notation for 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride?
The canonical SMILES for 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride is Cl.NNc1ccc2c3c(cccc13)C(=O)NC2=O.
What is the InChIKey of 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride?
The InChIKey is MRYJSOGJMUWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2.ClH/c13-15-9-5-4-8-10-6(9)2-1-3-7(10)11(16)14-12(8)17;/h1-5,15H,13H2,(H,14,16,17);1H.
What are the key properties of 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride?
6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride has a molecular weight of 263.68 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride is sourced from PubChem (CID 23364586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).