2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide

C47H55ClN10O7 — CID 167217702

About 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide

2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide (PubChem CID 167217702) has the molecular formula C47H55ClN10O7 and a molecular weight of 907.47 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
• PubChem CID: 167217702
• Molecular Formula: C47H55ClN10O7
• Molecular Weight: 907.47 g/mol
• Exact Mass: 906.39
• IUPAC Name: 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCC6(CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5(C)C)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
• InChI: InChI=1S/C47H55ClN10O7/c1-27(2)57-35-9-6-30(18-29(35)19-37(44(57)64)65-23-39(60)49-5)51-40-34(48)21-50-45(53-40)54-15-12-28(13-16-54)22-56-17-14-47(24-46(56,3)4)25-55(26-47)31-7-8-32-33(20-31)43(63)58(42(32)62)36-10-11-38(59)52-41(36)61/h6-9,18-21,27-28,36H,10-17,22-26H2,1-5H3,(H,49,60)(H,50,51,53)(H,52,59,61)
• InChIKey: CDTHXBNOZVGNJC-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 191.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.47
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
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 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

The IUPAC name of 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide (CID 167217702) is 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide.

What is the SMILES notation for 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

The canonical SMILES for 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N4CCC(CN5CCC6(CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5(C)C)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

The InChIKey is CDTHXBNOZVGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55ClN10O7/c1-27(2)57-35-9-6-30(18-29(35)19-37(44(57)64)65-23-39(60)49-5)51-40-34(48)21-50-45(53-40)54-15-12-28(13-16-54)22-56-17-14-47(24-46(56,3)4)25-55(26-47)31-7-8-32-33(20-31)43(63)58(42(32)62)36-10-11-38(59)52-41(36)61/h6-9,18-21,27-28,36H,10-17,22-26H2,1-5H3,(H,49,60)(H,50,51,53)(H,52,59,61).

What are the key properties of 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide?

2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide has a molecular weight of 907.47 g/mol, XLogP of 4.89, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6,6-dimethyl-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 167217702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).