6-aminobenzo[de]isoquinoline-1,3-dione

C12H8N2O2 — CID 1720

IUPAC6-aminobenzo[de]isoquinoline-1,3-dione
SMILESNc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
InChIKeySSMIFVHARFVINF-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds

About 6-aminobenzo[de]isoquinoline-1,3-dione

6-aminobenzo[de]isoquinoline-1,3-dione (PubChem CID 1720) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-aminobenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-aminobenzo[de]isoquinoline-1,3-dione
PubChem CID1720
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name6-aminobenzo[de]isoquinoline-1,3-dione
SMILESNc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
InChIKeySSMIFVHARFVINF-UHFFFAOYSA-N
XLogP1.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6(5H)-Phenanthridinone
CID 1853
Amonafide
CID 50515
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
6(5h)-Phenanthridinone, 2-amino-
CID 270668
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
2-Hydroxy-6-nitro-benzo[de]isoquinoline-1,3-dione
CID 819865
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
N-(2-Naphthyl)-1-naphthalenecarboxamide
CID 224149
6-Amino-1-phenalenone
CID 587481
Solvent Yellow 44
CID 75589
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071

Frequently Asked Questions

What is the IUPAC name of 6-aminobenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-aminobenzo[de]isoquinoline-1,3-dione (CID 1720) is 6-aminobenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-aminobenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-aminobenzo[de]isoquinoline-1,3-dione is Nc1ccc2c3c(cccc13)C(=O)NC2=O.
What is the InChIKey of 6-aminobenzo[de]isoquinoline-1,3-dione?
The InChIKey is SSMIFVHARFVINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16).
What are the key properties of 6-aminobenzo[de]isoquinoline-1,3-dione?
6-aminobenzo[de]isoquinoline-1,3-dione has a molecular weight of 212.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminobenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).