[(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate

C48H60BrClN2O8 — CID 162236900

About [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate

[(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate (PubChem CID 162236900) has the molecular formula C48H60BrClN2O8 and a molecular weight of 908.37 g/mol. Its IUPAC name is [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
• PubChem CID: 162236900
• Molecular Formula: C48H60BrClN2O8
• Molecular Weight: 908.37 g/mol
• Exact Mass: 906.32
• IUPAC Name: [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
• SMILES: Cc1cc2[nH]c(=O)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C.Cc1cc2[nH]c(=O)ccc2c(Br)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C27H32ClNO4.C21H28BrNO4/c1-16-14-20-19(12-13-22(30)29-20)24(17-8-10-18(28)11-9-17)23(16)21(33-27(5,6)7)15-32-25(31)26(2,3)4;1-12-10-14-13(8-9-16(24)23-14)18(22)17(12)15(27-21(5,6)7)11-26-19(25)20(2,3)4/h8-14,21H,15H2,1-7H3,(H,29,30);8-10,15H,11H2,1-7H3,(H,23,24)/t21-;15-/m11/s1
• InChIKey: ZWEHSQJGEREAKR-DHGAJBLSSA-N
• XLogP: 11.65
• TPSA: 136.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.37
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate (CID 162236900) is [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate is Cc1cc2[nH]c(=O)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C.Cc1cc2[nH]c(=O)ccc2c(Br)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C.

What is the InChIKey of [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

The InChIKey is ZWEHSQJGEREAKR-DHGAJBLSSA-N. The full InChI is InChI=1S/C27H32ClNO4.C21H28BrNO4/c1-16-14-20-19(12-13-22(30)29-20)24(17-8-10-18(28)11-9-17)23(16)21(33-27(5,6)7)15-32-25(31)26(2,3)4;1-12-10-14-13(8-9-16(24)23-14)18(22)17(12)15(27-21(5,6)7)11-26-19(25)20(2,3)4/h8-14,21H,15H2,1-7H3,(H,29,30);8-10,15H,11H2,1-7H3,(H,23,24)/t21-;15-/m11/s1.

What are the key properties of [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

[(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate has a molecular weight of 908.37 g/mol, XLogP of 11.65, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(5-bromo-7-methyl-2-oxo-1H-quinolin-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-oxo-1H-quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 162236900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).