2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione

C25H23N3O7 — CID 166419698

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione
SMILESCOc1ccc2c(c1)CCCN2C(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H23N3O7/c1-34-15-7-8-17-14(12-15)4-3-11-27(17)21(30)13-35-19-6-2-5-16-22(19)25(33)28(24(16)32)18-9-10-20(29)26-23(18)31/h2,5-8,12,18H,3-4,9-11,13H2,1H3,(H,26,29,31)
InChIKeyUQKKXUORVCAEAJ-UHFFFAOYSA-N
MW477.47 g/mol
LogP1.45
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione (PubChem CID 166419698) has the molecular formula C25H23N3O7 and a molecular weight of 477.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione
PubChem CID166419698
Molecular FormulaC25H23N3O7
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione
SMILESCOc1ccc2c(c1)CCCN2C(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H23N3O7/c1-34-15-7-8-17-14(12-15)4-3-11-27(17)21(30)13-35-19-6-2-5-16-22(19)25(33)28(24(16)32)18-9-10-20(29)26-23(18)31/h2,5-8,12,18H,3-4,9-11,13H2,1H3,(H,26,29,31)
InChIKeyUQKKXUORVCAEAJ-UHFFFAOYSA-N
XLogP1.45
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione (CID 166419698) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione is COc1ccc2c(c1)CCCN2C(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione?
The InChIKey is UQKKXUORVCAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O7/c1-34-15-7-8-17-14(12-15)4-3-11-27(17)21(30)13-35-19-6-2-5-16-22(19)25(33)28(24(16)32)18-9-10-20(29)26-23(18)31/h2,5-8,12,18H,3-4,9-11,13H2,1H3,(H,26,29,31).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione has a molecular weight of 477.47 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]isoindole-1,3-dione is sourced from PubChem (CID 166419698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).