2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione

C47H57ClN10O8 — CID 171847132

About 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione

2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione (PubChem CID 171847132) has the molecular formula C47H57ClN10O8 and a molecular weight of 925.49 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 171847132
• Molecular Formula: C47H57ClN10O8
• Molecular Weight: 925.49 g/mol
• Exact Mass: 924.40
• IUPAC Name: 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCCCC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC1CN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C30H39ClN6O4.C17H18N4O4/c1-19(2)37-25-10-9-21(15-20(25)16-26(29(37)39)40-18-27(38)32-3)34-28-24(31)17-33-30(35-28)36-13-11-23(12-14-36)41-22-7-5-4-6-8-22;1-18-9-7-20(8-9)11-4-2-3-10-14(11)17(25)21(16(10)24)12-5-6-13(22)19-15(12)23/h9-10,15-17,19,22-23H,4-8,11-14,18H2,1-3H3,(H,32,38)(H,33,34,35);2-4,9,12,18H,5-8H2,1H3,(H,19,22,23)
• InChIKey: NISIMCMSCNIUBG-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 209.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.49
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione (CID 171847132) is 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione is CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCCCC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.CNC1CN(c2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione?

The InChIKey is NISIMCMSCNIUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39ClN6O4.C17H18N4O4/c1-19(2)37-25-10-9-21(15-20(25)16-26(29(37)39)40-18-27(38)32-3)34-28-24(31)17-33-30(35-28)36-13-11-23(12-14-36)41-22-7-5-4-6-8-22;1-18-9-7-20(8-9)11-4-2-3-10-14(11)17(25)21(16(10)24)12-5-6-13(22)19-15(12)23/h9-10,15-17,19,22-23H,4-8,11-14,18H2,1-3H3,(H,32,38)(H,33,34,35);2-4,9,12,18H,5-8H2,1H3,(H,19,22,23).

What are the key properties of 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione?

2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 925.49 g/mol, XLogP of 4.71, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;2-(2,6-dioxopiperidin-3-yl)-4-[3-(methylamino)azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 171847132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).