2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione

C16H17N3O2 — CID 102014868

IUPAC2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
SMILESCCN(CC)c1ccc2c3c(cccc13)C(=O)N(N)C2=O
InChIInChI=1S/C16H17N3O2/c1-3-18(4-2)13-9-8-12-14-10(13)6-5-7-11(14)15(20)19(17)16(12)21/h5-9H,3-4,17H2,1-2H3
InChIKeyOKNDNWMUEBXYSS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione

2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione (PubChem CID 102014868) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
PubChem CID102014868
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
SMILESCCN(CC)c1ccc2c3c(cccc13)C(=O)N(N)C2=O
InChIInChI=1S/C16H17N3O2/c1-3-18(4-2)13-9-8-12-14-10(13)6-5-7-11(14)15(20)19(17)16(12)21/h5-9H,3-4,17H2,1-2H3
InChIKeyOKNDNWMUEBXYSS-UHFFFAOYSA-N
XLogP2.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
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-[3-[bis(3-aminopropyl)amino]propyl]-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
CID 164520011
6-[bis(2-hydroxyethyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
CID 4891328
2-amino-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
CID 786782
6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione
CID 102241953
[6-(dibutylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl] trifluoromethanesulfonate
CID 118970705
N-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-N-methylnitrous amide
CID 132523078
6-(dipropylamino)-2-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471754
2-naphthalen-1-yl-6-(N-phenylanilino)benzo[de]isoquinoline-1,3-dione
CID 102164301
6-[bis(2-hydroxyethyl)amino]benzo[de]isoquinoline-1,3-dione
CID 102140808
6-[methyl(3-sulfanylpropyl)amino]-2-(2-sulfanylethyl)benzo[de]isoquinoline-1,3-dione
CID 142469191
2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
CID 102499786
6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione
CID 19103875

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione (CID 102014868) is 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione is CCN(CC)c1ccc2c3c(cccc13)C(=O)N(N)C2=O.
What is the InChIKey of 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione?
The InChIKey is OKNDNWMUEBXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-18(4-2)13-9-8-12-14-10(13)6-5-7-11(14)15(20)19(17)16(12)21/h5-9H,3-4,17H2,1-2H3.
What are the key properties of 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione?
2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione has a molecular weight of 283.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102014868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).