2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C48H61ClN10O7 — CID 171847019

About 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171847019) has the molecular formula C48H61ClN10O7 and a molecular weight of 925.53 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171847019
• Molecular Formula: C48H61ClN10O7
• Molecular Weight: 925.53 g/mol
• Exact Mass: 924.44
• IUPAC Name: 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CC1CCC(CN(C)C2CCC2)N1c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(O)CC4)ncc3Cl)ccc2n(C(C)C)c1=O
• InChI: InChI=1S/C24H29ClN6O4.C24H32N4O3/c1-14(2)31-19-5-4-16(10-15(19)11-20(23(31)34)35-13-21(33)26-3)28-22-18(25)12-27-24(29-22)30-8-6-17(32)7-9-30;1-15-6-7-19(14-26(2)17-4-3-5-17)28(15)18-8-9-20-16(12-18)13-27(24(20)31)21-10-11-22(29)25-23(21)30/h4-5,10-12,14,17,32H,6-9,13H2,1-3H3,(H,26,33)(H,27,28,29);8-9,12,15,17,19,21H,3-7,10-11,13-14H2,1-2H3,(H,25,29,30)
• InChIKey: BARKYTIVRZKVRX-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 194.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.53
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	4
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-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171847019) is 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1CCC(CN(C)C2CCC2)N1c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.CNC(=O)COc1cc2cc(Nc3nc(N4CCC(O)CC4)ncc3Cl)ccc2n(C(C)C)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is BARKYTIVRZKVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O4.C24H32N4O3/c1-14(2)31-19-5-4-16(10-15(19)11-20(23(31)34)35-13-21(33)26-3)28-22-18(25)12-27-24(29-22)30-8-6-17(32)7-9-30;1-15-6-7-19(14-26(2)17-4-3-5-17)28(15)18-8-9-20-16(12-18)13-27(24(20)31)21-10-11-22(29)25-23(21)30/h4-5,10-12,14,17,32H,6-9,13H2,1-3H3,(H,26,33)(H,27,28,29);8-9,12,15,17,19,21H,3-7,10-11,13-14H2,1-2H3,(H,25,29,30).

What are the key properties of 2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

2-[6-[[5-chloro-2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 925.53 g/mol, XLogP of 5.14, 12 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-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-2-oxo-1-propan-2-ylquinolin-3-yl]oxy-N-methylacetamide;3-[6-[2-[[cyclobutyl(methyl)amino]methyl]-5-methylpyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171847019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).