2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione

C18H20N2O4 — CID 71661976

IUPAC2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione
SMILESCOCCOc1ccc2c3c(cccc13)C(=O)N(CCCN)C2=O
InChIInChI=1S/C18H20N2O4/c1-23-10-11-24-15-7-6-14-16-12(15)4-2-5-13(16)17(21)20(18(14)22)9-3-8-19/h2,4-7H,3,8-11,19H2,1H3
InChIKeySYYWDESTHRLKHR-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.81
Rot. Bonds7

About 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione

2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione (PubChem CID 71661976) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione
PubChem CID71661976
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione
SMILESCOCCOc1ccc2c3c(cccc13)C(=O)N(CCCN)C2=O
InChIInChI=1S/C18H20N2O4/c1-23-10-11-24-15-7-6-14-16-12(15)4-2-5-13(16)17(21)20(18(14)22)9-3-8-19/h2,4-7H,3,8-11,19H2,1H3
InChIKeySYYWDESTHRLKHR-UHFFFAOYSA-N
XLogP1.81
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[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

6-(3-aminopropoxy)-2-butylbenzo[de]isoquinoline-1,3-dione
CID 132536505
2-(2-methoxyethyl)-6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
CID 59769093
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
6-[2-(4-octoxynaphthalen-1-yl)ethynyl]-2-octylbenzo[de]isoquinoline-1,3-dione
CID 102221338
2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione
CID 155341943
2-(3-methoxypropyl)-1,3-dioxobenzo[de]isoquinoline-6-sulfonic acid
CID 14745999
2-(4-aminobutyl)benzo[de]isoquinoline-1,3-dione
CID 11623143
2-(2-cyclopenta-2,4-dien-1-ylethynyl)-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzo[de]isoquinoline-1,3-dione
CID 122381519
4-amino-2-(3-methoxypropyl)isoindole-1,3-dione
CID 43153305
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
6-(2-methoxyethyl)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 143238258
7-(3-aminopropyl)-18-dodecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 156899697

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione (CID 71661976) is 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione is COCCOc1ccc2c3c(cccc13)C(=O)N(CCCN)C2=O.
What is the InChIKey of 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione?
The InChIKey is SYYWDESTHRLKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-10-11-24-15-7-6-14-16-12(15)4-2-5-13(16)17(21)20(18(14)22)9-3-8-19/h2,4-7H,3,8-11,19H2,1H3.
What are the key properties of 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione?
2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione has a molecular weight of 328.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 71661976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).