tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

C52H59N11O6 — CID 177197823

About tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate

tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (PubChem CID 177197823) has the molecular formula C52H59N11O6 and a molecular weight of 934.11 g/mol. Its IUPAC name is tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
• PubChem CID: 177197823
• Molecular Formula: C52H59N11O6
• Molecular Weight: 934.11 g/mol
• Exact Mass: 933.46
• IUPAC Name: tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
• SMILES: Cc1c(-c2ccc3cnc(Nc4ccc(CN5CCN(C(=O)CN6CCC(c7ccc8c(C9CCC(=O)NC9=O)nn(C)c8c7)CC6)CC5)cc4)nc3c2)cnc2c1N(C(=O)OC(C)(C)C)CCO2
• InChI: InChI=1S/C52H59N11O6/c1-32-41(29-53-49-47(32)63(24-25-68-49)51(67)69-52(2,3)4)36-8-9-37-28-54-50(56-42(37)26-36)55-38-11-6-33(7-12-38)30-61-20-22-62(23-21-61)45(65)31-60-18-16-34(17-19-60)35-10-13-39-43(27-35)59(5)58-46(39)40-14-15-44(64)57-48(40)66/h6-13,26-29,34,40H,14-25,30-31H2,1-5H3,(H,54,55,56)(H,57,64,66)
• InChIKey: WOBJEKNDBBSRHQ-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 180.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.11
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

The IUPAC name of tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate (CID 177197823) is tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate.

What is the SMILES notation for tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

The canonical SMILES for tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is Cc1c(-c2ccc3cnc(Nc4ccc(CN5CCN(C(=O)CN6CCC(c7ccc8c(C9CCC(=O)NC9=O)nn(C)c8c7)CC6)CC5)cc4)nc3c2)cnc2c1N(C(=O)OC(C)(C)C)CCO2.

What is the InChIKey of tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

The InChIKey is WOBJEKNDBBSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H59N11O6/c1-32-41(29-53-49-47(32)63(24-25-68-49)51(67)69-52(2,3)4)36-8-9-37-28-54-50(56-42(37)26-36)55-38-11-6-33(7-12-38)30-61-20-22-62(23-21-61)45(65)31-60-18-16-34(17-19-60)35-10-13-39-43(27-35)59(5)58-46(39)40-14-15-44(64)57-48(40)66/h6-13,26-29,34,40H,14-25,30-31H2,1-5H3,(H,54,55,56)(H,57,64,66).

What are the key properties of tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate?

tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate has a molecular weight of 934.11 g/mol, XLogP of 6.81, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-[2-[4-[[4-[2-[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]methyl]anilino]quinazolin-7-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate is sourced from PubChem (CID 177197823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).