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

C18H19NO4 — CID 59769093

IUPAC2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
SMILESCOCCN1C(=O)c2cccc3c(OC(C)C)ccc(c23)C1=O
InChIInChI=1S/C18H19NO4/c1-11(2)23-15-8-7-14-16-12(15)5-4-6-13(16)17(20)19(18(14)21)9-10-22-3/h4-8,11H,9-10H2,1-3H3
InChIKeySPYZCHPTJYYBBZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.87
Rot. Bonds5

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

2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione (PubChem CID 59769093) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
PubChem CID59769093
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
SMILESCOCCN1C(=O)c2cccc3c(OC(C)C)ccc(c23)C1=O
InChIInChI=1S/C18H19NO4/c1-11(2)23-15-8-7-14-16-12(15)5-4-6-13(16)17(20)19(18(14)21)9-10-22-3/h4-8,11H,9-10H2,1-3H3
InChIKeySPYZCHPTJYYBBZ-UHFFFAOYSA-N
XLogP2.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[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

Related Compounds

2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione
CID 71661976
6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
CID 121316447
6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 143238258
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
6-(3-aminopropoxy)-2-butylbenzo[de]isoquinoline-1,3-dione
CID 132536505
2-(2-hydroxyethyl)-6-(2-methylphenoxy)benzo[de]isoquinoline-1,3-dione
CID 102435555
2-(3-methoxypropyl)-1,3-dioxobenzo[de]isoquinoline-6-sulfonic acid
CID 14745999
2-[2-(dimethylamino)ethyl]-6-phenoxybenzo[de]isoquinoline-1,3-dione
CID 102447581
6,13-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 102139603
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinoline-1,3-dione
CID 122400709
6-amino-2-[2-(2-hydroxyethoxy)ethyl]benzo[de]isoquinoline-1,3-dione
CID 90448631
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione (CID 59769093) is 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione is COCCN1C(=O)c2cccc3c(OC(C)C)ccc(c23)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is SPYZCHPTJYYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11(2)23-15-8-7-14-16-12(15)5-4-6-13(16)17(20)19(18(14)21)9-10-22-3/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione?
2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 313.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 59769093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).