2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione

C12H8N2O3 — CID 2876369

IUPAC2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESNN1C(=O)c2cccc3cc(O)cc(c23)C1=O
InChIInChI=1S/C12H8N2O3/c13-14-11(16)8-3-1-2-6-4-7(15)5-9(10(6)8)12(14)17/h1-5,15H,13H2
InChIKeyIGDASURZQZXOAY-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.02
Rot. Bonds

About 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione

2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione (PubChem CID 2876369) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione
PubChem CID2876369
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESNN1C(=O)c2cccc3cc(O)cc(c23)C1=O
InChIInChI=1S/C12H8N2O3/c13-14-11(16)8-3-1-2-6-4-7(15)5-9(10(6)8)12(14)17/h1-5,15H,13H2
InChIKeyIGDASURZQZXOAY-UHFFFAOYSA-N
XLogP1.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.02
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxybenzo[b]phenalen-7-one
CID 11242034
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol
CID 10490347
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073
(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethanesulfonate
CID 138457047
2-amino-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
CID 786782
6-hydroxy-5-[(E)-(5-hydroxy-1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 135589288
ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
5-nitro-2-[6-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-pyridinyl]benzo[de]isoquinoline-1,3-dione
CID 100820812
5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione
CID 174524735
2-[(E)-[1-(2-bromo-4,5-dimethylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-5-hydroxybenzo[de]isoquinoline-1,3-dione
CID 135432491
2-[[1-(4-bromo-3-methylphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]-5-hydroxybenzo[de]isoquinoline-1,3-dione
CID 4609786
2-[(4-chlorophenyl)methyl]-1,3-dioxobenzo[de]isoquinoline-5-sulfonic acid
CID 75593428

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione (CID 2876369) is 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione is NN1C(=O)c2cccc3cc(O)cc(c23)C1=O.
What is the InChIKey of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is IGDASURZQZXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c13-14-11(16)8-3-1-2-6-4-7(15)5-9(10(6)8)12(14)17/h1-5,15H,13H2.
What are the key properties of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 228.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2876369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).