2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C36H39ClN8O7 — CID 177007975

About 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 177007975) has the molecular formula C36H39ClN8O7 and a molecular weight of 731.21 g/mol. Its IUPAC name is 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• PubChem CID: 177007975
• Molecular Formula: C36H39ClN8O7
• Molecular Weight: 731.21 g/mol
• Exact Mass: 730.26
• IUPAC Name: 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• SMILES: CN(C)C(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C23H27ClN6O3.C13H12N2O4/c1-28(2)20(31)14-33-19-12-15-11-16(7-8-18(15)29(3)22(19)32)26-21-17(24)13-25-23(27-21)30-9-5-4-6-10-30;16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,25,26,27);1-2,5,10,16H,3-4,6H2,(H,14,17,18)
• InChIKey: AEGSPXAVDSKLCT-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 179.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.21
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The IUPAC name of 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 177007975) is 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

What is the SMILES notation for 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The canonical SMILES for 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CN(C)C(=O)COc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1.

What is the InChIKey of 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The InChIKey is AEGSPXAVDSKLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O3.C13H12N2O4/c1-28(2)20(31)14-33-19-12-15-11-16(7-8-18(15)29(3)22(19)32)26-21-17(24)13-25-23(27-21)30-9-5-4-6-10-30;16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,25,26,27);1-2,5,10,16H,3-4,6H2,(H,14,17,18).

What are the key properties of 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 731.21 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N,N-dimethylacetamide;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 177007975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).