2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

C47H50N10O5 — CID 177197995

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 177197995) has the molecular formula C47H50N10O5 and a molecular weight of 834.98 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 177197995
• Molecular Formula: C47H50N10O5
• Molecular Weight: 834.98 g/mol
• Exact Mass: 834.40
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: Cc1c(-c2ccc3cnc(Nc4ccc(CC5CCN(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)nc3c2)cnc2c1NCCO2
• InChI: InChI=1S/C47H50N10O5/c1-29-38(28-49-44-42(29)48-14-23-62-44)32-4-5-33-27-50-47(52-39(33)25-32)51-34-6-2-30(3-7-34)24-31-12-15-54(16-13-31)17-18-55-19-21-56(22-20-55)35-8-9-36-37(26-35)46(61)57(45(36)60)40-10-11-41(58)53-43(40)59/h2-9,25-28,31,40,48H,10-24H2,1H3,(H,50,51,52)(H,53,58,59)
• InChIKey: DCLCCIKUZFIALD-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 165.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	834.98
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 177197995) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is Cc1c(-c2ccc3cnc(Nc4ccc(CC5CCN(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)nc3c2)cnc2c1NCCO2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is DCLCCIKUZFIALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50N10O5/c1-29-38(28-49-44-42(29)48-14-23-62-44)32-4-5-33-27-50-47(52-39(33)25-32)51-34-6-2-30(3-7-34)24-31-12-15-54(16-13-31)17-18-55-19-21-56(22-20-55)35-8-9-36-37(26-35)46(61)57(45(36)60)40-10-11-41(58)53-43(40)59/h2-9,25-28,31,40,48H,10-24H2,1H3,(H,50,51,52)(H,53,58,59).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 834.98 g/mol, XLogP of 5.03, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 177197995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).