2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione

C17H12N4O2 — CID 175061132

IUPAC2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione
SMILESNNc1ncccc1N1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C17H12N4O2/c18-20-15-13(8-3-9-19-15)21-16(22)11-6-1-4-10-5-2-7-12(14(10)11)17(21)23/h1-9H,18H2,(H,19,20)
InChIKeyKOYSDJGEUUKNMF-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione

2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 175061132) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione
PubChem CID175061132
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione
SMILESNNc1ncccc1N1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C17H12N4O2/c18-20-15-13(8-3-9-19-15)21-16(22)11-6-1-4-10-5-2-7-12(14(10)11)17(21)23/h1-9H,18H2,(H,19,20)
InChIKeyKOYSDJGEUUKNMF-UHFFFAOYSA-N
XLogP2.32
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione (CID 175061132) is 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione is NNc1ncccc1N1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is KOYSDJGEUUKNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-20-15-13(8-3-9-19-15)21-16(22)11-6-1-4-10-5-2-7-12(14(10)11)17(21)23/h1-9H,18H2,(H,19,20).
What are the key properties of 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione?
2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 304.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-3-pyridinyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 175061132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).