5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione

C14H14Cl2N2O3 — CID 54771827

IUPAC5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCN1CCOCC1
InChIInChI=1S/C14H14Cl2N2O3/c15-11-7-9-10(8-12(11)16)14(20)18(13(9)19)2-1-17-3-5-21-6-4-17/h7-8H,1-6H2
InChIKeyWXOLMVDQPSDMGE-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.92
Rot. Bonds3

About 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione

5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione (PubChem CID 54771827) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione
PubChem CID54771827
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCN1CCOCC1
InChIInChI=1S/C14H14Cl2N2O3/c15-11-7-9-10(8-12(11)16)14(20)18(13(9)19)2-1-17-3-5-21-6-4-17/h7-8H,1-6H2
InChIKeyWXOLMVDQPSDMGE-UHFFFAOYSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione (CID 54771827) is 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCN1CCOCC1.
What is the InChIKey of 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The InChIKey is WXOLMVDQPSDMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c15-11-7-9-10(8-12(11)16)14(20)18(13(9)19)2-1-17-3-5-21-6-4-17/h7-8H,1-6H2.
What are the key properties of 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione has a molecular weight of 329.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-morpholin-4-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 54771827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).