5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione

C18H20Cl2N2O4 — CID 2901847

IUPAC5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione
SMILESCC(C)CC(C(=O)N1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C18H20Cl2N2O4/c1-10(2)7-15(18(25)21-3-5-26-6-4-21)22-16(23)11-8-13(19)14(20)9-12(11)17(22)24/h8-10,15H,3-7H2,1-2H3
InChIKeyWWPXRYYAMKUCBA-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.86
Rot. Bonds4

About 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione

5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione (PubChem CID 2901847) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione
PubChem CID2901847
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione
SMILESCC(C)CC(C(=O)N1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C18H20Cl2N2O4/c1-10(2)7-15(18(25)21-3-5-26-6-4-21)22-16(23)11-8-13(19)14(20)9-12(11)17(22)24/h8-10,15H,3-7H2,1-2H3
InChIKeyWWPXRYYAMKUCBA-UHFFFAOYSA-N
XLogP2.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.86
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-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione (CID 2901847) is 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione is CC(C)CC(C(=O)N1CCOCC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione?
The InChIKey is WWPXRYYAMKUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c1-10(2)7-15(18(25)21-3-5-26-6-4-21)22-16(23)11-8-13(19)14(20)9-12(11)17(22)24/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione?
5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione has a molecular weight of 399.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 2901847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).