2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione

C47H35N5O10 — CID 145479546

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4ccc5ccccc5c4)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(OCc4cnc5ccccc5c4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H18N2O5.C23H17N3O5/c27-20-11-10-18(22(28)25-20)26-23(29)17-6-3-7-19(21(17)24(26)30)31-13-14-8-9-15-4-1-2-5-16(15)12-14;27-19-9-8-17(21(28)25-19)26-22(29)15-5-3-7-18(20(15)23(26)30)31-12-13-10-14-4-1-2-6-16(14)24-11-13/h1-9,12,18H,10-11,13H2,(H,25,27,28);1-7,10-11,17H,8-9,12H2,(H,25,27,28)
InChIKeyKDDYQBDAVVEYOJ-UHFFFAOYSA-N
MW829.82 g/mol
LogP5.03
Rot. Bonds8

About 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione (PubChem CID 145479546) has the molecular formula C47H35N5O10 and a molecular weight of 829.82 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
PubChem CID145479546
Molecular FormulaC47H35N5O10
Molecular Weight829.82 g/mol
Exact Mass829.24
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(OCc4ccc5ccccc5c4)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(OCc4cnc5ccccc5c4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H18N2O5.C23H17N3O5/c27-20-11-10-18(22(28)25-20)26-23(29)17-6-3-7-19(21(17)24(26)30)31-13-14-8-9-15-4-1-2-5-16(15)12-14;27-19-9-8-17(21(28)25-19)26-22(29)15-5-3-7-18(20(15)23(26)30)31-12-13-10-14-4-1-2-6-16(14)24-11-13/h1-9,12,18H,10-11,13H2,(H,25,27,28);1-7,10-11,17H,8-9,12H2,(H,25,27,28)
InChIKeyKDDYQBDAVVEYOJ-UHFFFAOYSA-N
XLogP5.03
TPSA198.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500829.82
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione (CID 145479546) is 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(OCc4ccc5ccccc5c4)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(OCc4cnc5ccccc5c4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
The InChIKey is KDDYQBDAVVEYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5.C23H17N3O5/c27-20-11-10-18(22(28)25-20)26-23(29)17-6-3-7-19(21(17)24(26)30)31-13-14-8-9-15-4-1-2-5-16(15)12-14;27-19-9-8-17(21(28)25-19)26-22(29)15-5-3-7-18(20(15)23(26)30)31-12-13-10-14-4-1-2-6-16(14)24-11-13/h1-9,12,18H,10-11,13H2,(H,25,27,28);1-7,10-11,17H,8-9,12H2,(H,25,27,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione has a molecular weight of 829.82 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(naphthalen-2-ylmethoxy)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione is sourced from PubChem (CID 145479546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).