4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione

C17H17NO2 — CID 141077925

IUPAC4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCc1cc2cccc3c2c(c1CC)C(=O)N(C)C3=O
InChIInChI=1S/C17H17NO2/c1-4-10-9-11-7-6-8-13-14(11)15(12(10)5-2)17(20)18(3)16(13)19/h6-9H,4-5H2,1-3H3
InChIKeyYVKYIBVMZUAICS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds2

About 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione

4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 141077925) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID141077925
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCc1cc2cccc3c2c(c1CC)C(=O)N(C)C3=O
InChIInChI=1S/C17H17NO2/c1-4-10-9-11-7-6-8-13-14(11)15(12(10)5-2)17(20)18(3)16(13)19/h6-9H,4-5H2,1-3H3
InChIKeyYVKYIBVMZUAICS-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
CID 118488344
N,N-dimethylpropan-1-amine;2-methylbenzo[de]isoquinoline-1,3-dione
CID 160559905
ethane;7-methyl-1-propylbenzo[cd]indol-2-one
CID 178168650
2-methyl-4-[2-(2-methyl-1,3-dioxoisoindol-4-yl)ethynyl]isoindole-1,3-dione
CID 90008525
7,10-diethyl-8-naphthalen-1-ylfluoranthene
CID 13193577
1,2,3,4-tetraethylpyrene
CID 123156770
6-ethyl-2,4-dimethylisoindole-1,3-dione
CID 170003008
16,17-diethyl-2,14-diazahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1(22),4,6,8(24),9,11,13,15(23),16,18,20-undecaen-3-one
CID 70837075
6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 143238258
2-methylbenzo[de]isoquinoline-1,3-dione;N-methylcyclohexanimine;2-methylisoindole-1,3-dione
CID 159617958
2-methyl-6-propylsulfanylbenzo[de]isoquinoline-1,3-dione
CID 118968497

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione (CID 141077925) is 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione is CCc1cc2cccc3c2c(c1CC)C(=O)N(C)C3=O.
What is the InChIKey of 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is YVKYIBVMZUAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-10-9-11-7-6-8-13-14(11)15(12(10)5-2)17(20)18(3)16(13)19/h6-9H,4-5H2,1-3H3.
What are the key properties of 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione?
4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 267.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 141077925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).