5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione

C16H16N2O2 — CID 118488344

IUPAC5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCN(C)c1cc2c3c(cccc3c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H16N2O2/c1-4-17(2)11-8-10-6-5-7-12-14(10)13(9-11)16(20)18(3)15(12)19/h5-9H,4H2,1-3H3
InChIKeyZTBXZLXLICIOKY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds2

About 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione

5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 118488344) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID118488344
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCN(C)c1cc2c3c(cccc3c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H16N2O2/c1-4-17(2)11-8-10-6-5-7-12-14(10)13(9-11)16(20)18(3)15(12)19/h5-9H,4H2,1-3H3
InChIKeyZTBXZLXLICIOKY-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione
CID 160559905
ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione
CID 141077925
5-[hydroxy(oxido)amino]-2-(2-hydroxypropyl)benzo[de]isoquinoline-1,3-dione
CID 21140514
5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;2-hydroxyacetic acid
CID 10150216
2-[2-(dimethylamino)ethyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride
CID 12680929
2-[3-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-methylamino]hexyl-methylamino]propyl]benzo[de]isoquinoline-1,3-dione
CID 16725978
2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]propyl-methylamino]ethyl]benzo[de]isoquinoline-1,3-dione;ethane
CID 143501202
2-methylbenzo[de]isoquinoline-1,3-dione;N-methylcyclohexanimine;2-methylisoindole-1,3-dione
CID 159617958
ethane;7-methyl-1-propylbenzo[cd]indol-2-one
CID 178168650
2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5-[hydroxy(oxido)amino]benzo[de]isoquinoline-1,3-dione
CID 21143465
N,N-bis(4-ethylphenyl)fluoranthen-2-amine
CID 139765595

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione (CID 118488344) is 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione is CCN(C)c1cc2c3c(cccc3c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is ZTBXZLXLICIOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-17(2)11-8-10-6-5-7-12-14(10)13(9-11)16(20)18(3)15(12)19/h5-9H,4H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 268.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 118488344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).