2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide

C66H68Cl2N16O10 — CID 174287382

About 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide

2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide (PubChem CID 174287382) has the molecular formula C66H68Cl2N16O10 and a molecular weight of 1316.28 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• PubChem CID: 174287382
• Molecular Formula: C66H68Cl2N16O10
• Molecular Weight: 1316.28 g/mol
• Exact Mass: 1314.47
• IUPAC Name: 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CCCC(CNc5cccc(C6CCC(=O)NC6=O)c5)C4)ncc3Cl)ccc2n(-n2c(=O)c(OCC(=O)NC)cc3cc(Nc4nc(N5CCC[C@H](CNc6cccc(C7CCC(=O)NC7=O)c6)C5)ncc4Cl)ccc32)c1=O
• InChI: InChI=1S/C66H68Cl2N16O10/c1-69-57(87)35-93-53-27-41-25-45(75-59-49(67)31-73-65(79-59)81-21-5-7-37(33-81)29-71-43-11-3-9-39(23-43)47-15-19-55(85)77-61(47)89)13-17-51(41)83(63(53)91)84-52-18-14-46(26-42(52)28-54(64(84)92)94-36-58(88)70-2)76-60-50(68)32-74-66(80-60)82-22-6-8-38(34-82)30-72-44-12-4-10-40(24-44)48-16-20-56(86)78-62(48)90/h3-4,9-14,17-18,23-28,31-32,37-38,47-48,71-72H,5-8,15-16,19-22,29-30,33-36H2,1-2H3,(H,69,87)(H,70,88)(H,73,75,79)(H,74,76,80)(H,77,85,89)(H,78,86,90)/t37-,38?,47?,48?/m1/s1
• InChIKey: GKEIPVGURFQQMI-TYGGCBRLSA-N
• XLogP: 6.95
• TPSA: 319.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1316.28
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The IUPAC name of 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide (CID 174287382) is 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

What is the SMILES notation for 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The canonical SMILES for 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N4CCCC(CNc5cccc(C6CCC(=O)NC6=O)c5)C4)ncc3Cl)ccc2n(-n2c(=O)c(OCC(=O)NC)cc3cc(Nc4nc(N5CCC[C@H](CNc6cccc(C7CCC(=O)NC7=O)c6)C5)ncc4Cl)ccc32)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The InChIKey is GKEIPVGURFQQMI-TYGGCBRLSA-N. The full InChI is InChI=1S/C66H68Cl2N16O10/c1-69-57(87)35-93-53-27-41-25-45(75-59-49(67)31-73-65(79-59)81-21-5-7-37(33-81)29-71-43-11-3-9-39(23-43)47-15-19-55(85)77-61(47)89)13-17-51(41)83(63(53)91)84-52-18-14-46(26-42(52)28-54(64(84)92)94-36-58(88)70-2)76-60-50(68)32-74-66(80-60)82-22-6-8-38(34-82)30-72-44-12-4-10-40(24-44)48-16-20-56(86)78-62(48)90/h3-4,9-14,17-18,23-28,31-32,37-38,47-48,71-72H,5-8,15-16,19-22,29-30,33-36H2,1-2H3,(H,69,87)(H,70,88)(H,73,75,79)(H,74,76,80)(H,77,85,89)(H,78,86,90)/t37-,38?,47?,48?/m1/s1.

What are the key properties of 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide has a molecular weight of 1316.28 g/mol, XLogP of 6.95, 21 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-[3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-1-[6-[[5-chloro-2-[(3R)-3-[[3-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-1-yl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 174287382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).