2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

C23H27Cl2N5O2Si — CID 150365902

About 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 150365902) has the molecular formula C23H27Cl2N5O2Si and a molecular weight of 504.49 g/mol. Its IUPAC name is 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
• PubChem CID: 150365902
• Molecular Formula: C23H27Cl2N5O2Si
• Molecular Weight: 504.49 g/mol
• Exact Mass: 503.13
• IUPAC Name: 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
• SMILES: CNc1ccc2ccc(-c3cn(COCC[Si](C)(C)C)c4nc(Cl)n(C)c(=O)c34)c(Cl)c2n1
• InChI: InChI=1S/C23H27Cl2N5O2Si/c1-26-17-9-7-14-6-8-15(19(24)20(14)27-17)16-12-30(13-32-10-11-33(3,4)5)21-18(16)22(31)29(2)23(25)28-21/h6-9,12H,10-11,13H2,1-5H3,(H,26,27)
• InChIKey: GWRZLFCGEYUELK-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.49
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

The IUPAC name of 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 150365902) is 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

The canonical SMILES for 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is CNc1ccc2ccc(-c3cn(COCC[Si](C)(C)C)c4nc(Cl)n(C)c(=O)c34)c(Cl)c2n1.

What is the InChIKey of 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

The InChIKey is GWRZLFCGEYUELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O2Si/c1-26-17-9-7-14-6-8-15(19(24)20(14)27-17)16-12-30(13-32-10-11-33(3,4)5)21-18(16)22(31)29(2)23(25)28-21/h6-9,12H,10-11,13H2,1-5H3,(H,26,27).

What are the key properties of 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 504.49 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[8-chloro-2-(methylamino)quinolin-7-yl]-3-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 150365902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).