[(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate

C114H121Cl4N7O11 — CID 158593332

About [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate

[(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate (PubChem CID 158593332) has the molecular formula C114H121Cl4N7O11 and a molecular weight of 1907.07 g/mol. Its IUPAC name is [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
• PubChem CID: 158593332
• Molecular Formula: C114H121Cl4N7O11
• Molecular Weight: 1907.07 g/mol
• Exact Mass: 1903.79
• IUPAC Name: [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
• SMILES: Cc1cc2nc(-c3ccccn3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)C.Cc1cc2nc(-c3ccccn3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C.Cc1cc2nc(-c3ccccn3)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O.Cc1ccc2c(-c3ccc(Cl)cc3)c([C@@H](COC(=O)C(C)(C)C)OC(C)(C)C)c(C)cc2n1
• InChI: InChI=1S/C32H35ClN2O3.C28H34ClNO3.C27H25ClN2O3.C27H27ClN2O2/c1-20-18-26-23(15-16-25(35-26)24-10-8-9-17-34-24)29(21-11-13-22(33)14-12-21)28(20)27(38-32(5,6)7)19-37-30(36)31(2,3)4;1-17-15-22-21(14-9-18(2)30-22)25(19-10-12-20(29)13-11-19)24(17)23(33-28(6,7)8)16-32-26(31)27(3,4)5;1-16-15-22-19(12-13-21(30-22)20-7-5-6-14-29-20)24(17-8-10-18(28)11-9-17)23(16)25(26(31)32)33-27(2,3)4;1-17-15-23-20(12-13-22(30-23)21-7-5-6-14-29-21)26(18-8-10-19(28)11-9-18)25(17)24(16-31)32-27(2,3)4/h8-18,27H,19H2,1-7H3;9-15,23H,16H2,1-8H3;5-15,25H,1-4H3,(H,31,32);5-15,24,31H,16H2,1-4H3/t27-;23-;25-;24-/m1101/s1
• InChIKey: HUSDVBYGFKJGPE-UMWGMJJFSA-N
• XLogP: 29.63
• TPSA: 237.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.07
LogP ≤ 5	29.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate (CID 158593332) is [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate is Cc1cc2nc(-c3ccccn3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)C.Cc1cc2nc(-c3ccccn3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C.Cc1cc2nc(-c3ccccn3)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O.Cc1ccc2c(-c3ccc(Cl)cc3)c([C@@H](COC(=O)C(C)(C)C)OC(C)(C)C)c(C)cc2n1.

What is the InChIKey of [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

The InChIKey is HUSDVBYGFKJGPE-UMWGMJJFSA-N. The full InChI is InChI=1S/C32H35ClN2O3.C28H34ClNO3.C27H25ClN2O3.C27H27ClN2O2/c1-20-18-26-23(15-16-25(35-26)24-10-8-9-17-34-24)29(21-11-13-22(33)14-12-21)28(20)27(38-32(5,6)7)19-37-30(36)31(2,3)4;1-17-15-22-21(14-9-18(2)30-22)25(19-10-12-20(29)13-11-19)24(17)23(33-28(6,7)8)16-32-26(31)27(3,4)5;1-16-15-22-19(12-13-21(30-22)20-7-5-6-14-29-20)24(17-8-10-18(28)11-9-17)23(16)25(26(31)32)33-27(2,3)4;1-17-15-23-20(12-13-22(30-23)21-7-5-6-14-29-21)26(18-8-10-19(28)11-9-18)25(17)24(16-31)32-27(2,3)4/h8-18,27H,19H2,1-7H3;9-15,23H,16H2,1-8H3;5-15,25H,1-4H3,(H,31,32);5-15,24,31H,16H2,1-4H3/t27-;23-;25-;24-/m1101/s1.

What are the key properties of [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate?

[(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate has a molecular weight of 1907.07 g/mol, XLogP of 29.63, 21 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-pyridin-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 158593332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).