2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione

C23H17N3O5 — CID 124563279

IUPAC2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
SMILESO=C1CC[C@H](N2C(=O)c3cccc(OCc4cnc5ccccc5c4)c3C2=O)C(=O)N1
InChIInChI=1S/C23H17N3O5/c27-19-9-8-17(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/h1-7,10-11,17H,8-9,12H2,(H,25,27,28)/t17-/m0/s1
InChIKeyYJYAGEUHHBFPBQ-KRWDZBQOSA-N
MW415.41 g/mol
LogP2.21
Rot. Bonds4

About 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione

2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione (PubChem CID 124563279) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
PubChem CID124563279
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Name2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
SMILESO=C1CC[C@H](N2C(=O)c3cccc(OCc4cnc5ccccc5c4)c3C2=O)C(=O)N1
InChIInChI=1S/C23H17N3O5/c27-19-9-8-17(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/h1-7,10-11,17H,8-9,12H2,(H,25,27,28)/t17-/m0/s1
InChIKeyYJYAGEUHHBFPBQ-KRWDZBQOSA-N
XLogP2.21
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione with MolForge

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Related Compounds

2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione
CID 124563278
4-[(3,4-dihydroxyphenyl)methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71066885
2-(2,6-dioxopiperidin-3-yl)-4-(2-naphthalen-2-ylethoxy)isoindole-1,3-dione
CID 25015297
2-(2,6-dioxopiperidin-3-yl)-4-[(4-methylsulfanylphenyl)methoxy]isoindole-1,3-dione
CID 138710774
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-ethynylpyrazol-1-yl)methyl]phenyl]methoxy]isoindole-1,3-dione
CID 138557040
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]isoindole-1,3-dione
CID 147119845
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
CID 164925007
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155292143
4-(8-aminooctoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 121448705
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292142

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
The IUPAC name of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione (CID 124563279) is 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
The canonical SMILES for 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione is O=C1CC[C@H](N2C(=O)c3cccc(OCc4cnc5ccccc5c4)c3C2=O)C(=O)N1.
What is the InChIKey of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
The InChIKey is YJYAGEUHHBFPBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H17N3O5/c27-19-9-8-17(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/h1-7,10-11,17H,8-9,12H2,(H,25,27,28)/t17-/m0/s1.
What are the key properties of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione?
2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione has a molecular weight of 415.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-(quinolin-3-ylmethoxy)isoindole-1,3-dione is sourced from PubChem (CID 124563279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).