4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

C17H21ClN4O5 — CID 154828688

IUPAC4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.NCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H20N4O5.ClH/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23;/h1-3,12,19H,4-9,18H2,(H,20,22,23);1H
InChIKeyLQYLHZFKGOZTOH-UHFFFAOYSA-N
MW396.83 g/mol
LogP-0.10
Rot. Bonds7

About 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (PubChem CID 154828688) has the molecular formula C17H21ClN4O5 and a molecular weight of 396.83 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
PubChem CID154828688
Molecular FormulaC17H21ClN4O5
Molecular Weight396.83 g/mol
Exact Mass396.12
IUPAC Name4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.NCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H20N4O5.ClH/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23;/h1-3,12,19H,4-9,18H2,(H,20,22,23);1H
InChIKeyLQYLHZFKGOZTOH-UHFFFAOYSA-N
XLogP-0.10
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (CID 154828688) is 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is Cl.NCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
The InChIKey is LQYLHZFKGOZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5.ClH/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23;/h1-3,12,19H,4-9,18H2,(H,20,22,23);1H.
What are the key properties of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride has a molecular weight of 396.83 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 154828688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).