1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

C126H120N16O24 — CID 158167051

About 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (PubChem CID 158167051) has the molecular formula C126H120N16O24 and a molecular weight of 2242.43 g/mol. Its IUPAC name is 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
• PubChem CID: 158167051
• Molecular Formula: C126H120N16O24
• Molecular Weight: 2242.43 g/mol
• Exact Mass: 2240.87
• IUPAC Name: 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
• SMILES: N#Cc1ccc2c(ccc3occ([C@@H]4CCC(=O)NC4=O)c32)c1.N#Cc1ccc2c(ccc3occ([C@H]4CCC(=O)NC4=O)c32)c1.O=C1CC[C@@H](c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCOCC5)ccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4nc(OCCN5CCOCC5)ccc4c23)C(=O)N1
• InChI: InChI=1S/2C23H25N3O4.2C22H23N3O5.2C18H12N2O3/c2*27-20-8-4-15(23(28)25-20)17-14-30-19-7-6-18-16(22(17)19)5-9-21(24-18)29-13-3-12-26-10-1-2-11-26;2*26-19-5-1-14(22(27)24-19)16-13-30-18-4-3-17-15(21(16)18)2-6-20(23-17)29-12-9-25-7-10-28-11-8-25;2*19-8-10-1-3-12-11(7-10)2-5-15-17(12)14(9-23-15)13-4-6-16(21)20-18(13)22/h2*5-7,9,14-15H,1-4,8,10-13H2,(H,25,27,28);2*2-4,6,13-14H,1,5,7-12H2,(H,24,26,27);2*1-3,5,7,9,13H,4,6H2,(H,20,21,22)/t2*15-;2*14-;2*13-/m101010/s1
• InChIKey: FWYXRPYHZMTIEG-MUTYWDIASA-N
• XLogP: 17.11
• TPSA: 523.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.43
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

The IUPAC name of 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (CID 158167051) is 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

The canonical SMILES for 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is N#Cc1ccc2c(ccc3occ([C@@H]4CCC(=O)NC4=O)c32)c1.N#Cc1ccc2c(ccc3occ([C@H]4CCC(=O)NC4=O)c32)c1.O=C1CC[C@@H](c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCOCC5)ccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4nc(OCCN5CCOCC5)ccc4c23)C(=O)N1.

What is the InChIKey of 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

The InChIKey is FWYXRPYHZMTIEG-MUTYWDIASA-N. The full InChI is InChI=1S/2C23H25N3O4.2C22H23N3O5.2C18H12N2O3/c2*27-20-8-4-15(23(28)25-20)17-14-30-19-7-6-18-16(22(17)19)5-9-21(24-18)29-13-3-12-26-10-1-2-11-26;2*26-19-5-1-14(22(27)24-19)16-13-30-18-4-3-17-15(21(16)18)2-6-20(23-17)29-12-9-25-7-10-28-11-8-25;2*19-8-10-1-3-12-11(7-10)2-5-15-17(12)14(9-23-15)13-4-6-16(21)20-18(13)22/h2*5-7,9,14-15H,1-4,8,10-13H2,(H,25,27,28);2*2-4,6,13-14H,1,5,7-12H2,(H,24,26,27);2*1-3,5,7,9,13H,4,6H2,(H,20,21,22)/t2*15-;2*14-;2*13-/m101010/s1.

What are the key properties of 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?

1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione has a molecular weight of 2242.43 g/mol, XLogP of 17.11, 24 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-carbonitrile;(3R)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-morpholin-4-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3R)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 158167051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).