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

C115H142Cl4N8O15 — CID 158309336

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

[(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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine (PubChem CID 158309336) has the molecular formula C115H142Cl4N8O15 and a molecular weight of 2018.25 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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine.

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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine
• PubChem CID: 158309336
• Molecular Formula: C115H142Cl4N8O15
• Molecular Weight: 2018.25 g/mol
• Exact Mass: 2014.93
• 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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine
• SMILES: C1COCCN1.Cc1cc2nc(N3CCOCC3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)C.Cc1cc2nc(N3CCOCC3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C.Cc1cc2nc(N3CCOCC3)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/C31H39ClN2O4.C28H34ClNO3.C26H29ClN2O4.C26H31ClN2O3.C4H9NO/c1-20-18-24-23(12-13-26(33-24)34-14-16-36-17-15-34)28(21-8-10-22(32)11-9-21)27(20)25(38-31(5,6)7)19-37-29(35)30(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;1-16-15-20-19(9-10-21(28-20)29-11-13-32-14-12-29)23(17-5-7-18(27)8-6-17)22(16)24(25(30)31)33-26(2,3)4;1-17-15-21-20(9-10-23(28-21)29-11-13-31-14-12-29)25(18-5-7-19(27)8-6-18)24(17)22(16-30)32-26(2,3)4;1-3-6-4-2-5-1/h8-13,18,25H,14-17,19H2,1-7H3;9-15,23H,16H2,1-8H3;5-10,15,24H,11-14H2,1-4H3,(H,30,31);5-10,15,22,30H,11-14,16H2,1-4H3;5H,1-4H2/t25-;23-;24-;22-;/m1101./s1
• InChIKey: GNMDXEOQBRXEOP-DTGGGMFKSA-N
• XLogP: 25.56
• TPSA: 257.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.25
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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

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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine (CID 158309336) 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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine.

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

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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine is C1COCCN1.Cc1cc2nc(N3CCOCC3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](CO)OC(C)(C)C.Cc1cc2nc(N3CCOCC3)ccc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C.Cc1cc2nc(N3CCOCC3)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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine?

The InChIKey is GNMDXEOQBRXEOP-DTGGGMFKSA-N. The full InChI is InChI=1S/C31H39ClN2O4.C28H34ClNO3.C26H29ClN2O4.C26H31ClN2O3.C4H9NO/c1-20-18-24-23(12-13-26(33-24)34-14-16-36-17-15-34)28(21-8-10-22(32)11-9-21)27(20)25(38-31(5,6)7)19-37-29(35)30(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;1-16-15-20-19(9-10-21(28-20)29-11-13-32-14-12-29)23(17-5-7-18(27)8-6-17)22(16)24(25(30)31)33-26(2,3)4;1-17-15-21-20(9-10-23(28-21)29-11-13-31-14-12-29)25(18-5-7-19(27)8-6-18)24(17)22(16-30)32-26(2,3)4;1-3-6-4-2-5-1/h8-13,18,25H,14-17,19H2,1-7H3;9-15,23H,16H2,1-8H3;5-10,15,24H,11-14H2,1-4H3,(H,30,31);5-10,15,22,30H,11-14,16H2,1-4H3;5H,1-4H2/t25-;23-;24-;22-;/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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine?

[(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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine has a molecular weight of 2018.25 g/mol, XLogP of 25.56, 21 rotatable bonds, 3 hydrogen bond donors, and 22 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-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol;[(2S)-2-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate;morpholine is sourced from PubChem (CID 158309336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).