2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide

C47H61ClN10O7 — CID 171846865

About 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide

2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide (PubChem CID 171846865) has the molecular formula C47H61ClN10O7 and a molecular weight of 913.52 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide
• PubChem CID: 171846865
• Molecular Formula: C47H61ClN10O7
• Molecular Weight: 913.52 g/mol
• Exact Mass: 912.44
• IUPAC Name: 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide
• SMILES: CNC(=O)C(CCC=O)N1Cc2c(ccc(N3CCNCC3)c2C)C1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
• InChI: InChI=1S/C28H35ClN6O4.C19H26N4O3/c1-17(2)35-23-8-7-19(13-18(23)14-24(27(35)37)38-16-25(36)30-3)32-26-22(29)15-31-28(33-26)34-11-9-21(10-12-34)39-20-5-4-6-20;1-13-15-12-23(17(4-3-11-24)18(25)20-2)19(26)14(15)5-6-16(13)22-9-7-21-8-10-22/h7-8,13-15,17,20-21H,4-6,9-12,16H2,1-3H3,(H,30,36)(H,31,32,33);5-6,11,17,21H,3-4,7-10,12H2,1-2H3,(H,20,25)
• InChIKey: RCOBBJUOVMIFJQ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 192.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.52
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide?

The IUPAC name of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide (CID 171846865) is 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide.

What is the SMILES notation for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide?

The canonical SMILES for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2c(ccc(N3CCNCC3)c2C)C1=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(OC5CCC5)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide?

The InChIKey is RCOBBJUOVMIFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6O4.C19H26N4O3/c1-17(2)35-23-8-7-19(13-18(23)14-24(27(35)37)38-16-25(36)30-3)32-26-22(29)15-31-28(33-26)34-11-9-21(10-12-34)39-20-5-4-6-20;1-13-15-12-23(17(4-3-11-24)18(25)20-2)19(26)14(15)5-6-16(13)22-9-7-21-8-10-22/h7-8,13-15,17,20-21H,4-6,9-12,16H2,1-3H3,(H,30,36)(H,31,32,33);5-6,11,17,21H,3-4,7-10,12H2,1-2H3,(H,20,25).

What are the key properties of 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide?

2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide has a molecular weight of 913.52 g/mol, XLogP of 4.89, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-(4-cyclobutyloxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;N-methyl-2-(7-methyl-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-5-oxopentanamide is sourced from PubChem (CID 171846865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).