6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione

C16H15NO3 — CID 143238258

IUPAC6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCOCCc1ccc2c3c(cccc13)C(=O)N(C)C2=O
InChIInChI=1S/C16H15NO3/c1-17-15(18)12-5-3-4-11-10(8-9-20-2)6-7-13(14(11)12)16(17)19/h3-7H,8-9H2,1-2H3
InChIKeyQWKJOXZMCAFWGH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.25
Rot. Bonds3

About 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione

6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 143238258) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID143238258
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCOCCc1ccc2c3c(cccc13)C(=O)N(C)C2=O
InChIInChI=1S/C16H15NO3/c1-17-15(18)12-5-3-4-11-10(8-9-20-2)6-7-13(14(11)12)16(17)19/h3-7H,8-9H2,1-2H3
InChIKeyQWKJOXZMCAFWGH-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.25
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

2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
CID 59769093
16-methyl-5-(2-methyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 58151073
6-(2-aminoethyl)-2-ethylbenzo[de]isoquinoline-1,3-dione
CID 19103875
2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione
CID 71661976
2-methyl-6-propylsulfanylbenzo[de]isoquinoline-1,3-dione
CID 118968497
3-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)propanoic acid
CID 58821985
2-(3-methoxypropyl)-1,3-dioxobenzo[de]isoquinoline-6-sulfonic acid
CID 14745999
6-[bis(2-hydroxyethyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
CID 4891328
6-(butylamino)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 89468093
6-(3-hydroxypropyl)-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471889
(6-butyl-1,3-dioxobenzo[de]isoquinolin-2-yl) 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 118490608
6-[4-(3-methylimidazol-3-ium-1-yl)butyl]-2-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzo[de]isoquinoline-1,3-dione
CID 58261039

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione (CID 143238258) is 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione is COCCc1ccc2c3c(cccc13)C(=O)N(C)C2=O.
What is the InChIKey of 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is QWKJOXZMCAFWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17-15(18)12-5-3-4-11-10(8-9-20-2)6-7-13(14(11)12)16(17)19/h3-7H,8-9H2,1-2H3.
What are the key properties of 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione?
6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 269.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 143238258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).