6-amino-2-methylbenzo[de]isoquinoline-1,3-dione

C13H10N2O2 — CID 3091494

IUPAC6-amino-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCN1C(=O)c2cccc3c(N)ccc(c23)C1=O
InChIInChI=1S/C13H10N2O2/c1-15-12(16)8-4-2-3-7-10(14)6-5-9(11(7)8)13(15)17/h2-6H,14H2,1H3
InChIKeyHDGAYMVNWSXKLI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.65
Rot. Bonds

About 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione

6-amino-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 3091494) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-amino-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID3091494
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name6-amino-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCN1C(=O)c2cccc3c(N)ccc(c23)C1=O
InChIInChI=1S/C13H10N2O2/c1-15-12(16)8-4-2-3-7-10(14)6-5-9(11(7)8)13(15)17/h2-6H,14H2,1H3
InChIKeyHDGAYMVNWSXKLI-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione 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-amino-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione (CID 3091494) is 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione is CN1C(=O)c2cccc3c(N)ccc(c23)C1=O.
What is the InChIKey of 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is HDGAYMVNWSXKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-15-12(16)8-4-2-3-7-10(14)6-5-9(11(7)8)13(15)17/h2-6H,14H2,1H3.
What are the key properties of 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione?
6-amino-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 226.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 3091494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).