(1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C138H135Cl4N13O12 — CID 157080580

About (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 157080580) has the molecular formula C138H135Cl4N13O12 and a molecular weight of 2309.49 g/mol. Its IUPAC name is (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 157080580
• Molecular Formula: C138H135Cl4N13O12
• Molecular Weight: 2309.49 g/mol
• Exact Mass: 2305.91
• IUPAC Name: (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nc(-c4ccccc4)cn32)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nccn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nncn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nnnn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(OCc3ccccc3)ccc2c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C36H33N3O3.C30H30ClNO3.C25H25ClN2O2.C24H24ClN3O2.C23H23ClN4O2/c1-21-19-28-25(12-14-30-38-27(20-39(28)30)23-9-7-6-8-10-23)33(31(21)35(22(2)40)42-36(3,4)5)26-11-13-29-32-24(16-18-41-29)15-17-37-34(26)32;1-19-17-25-24(15-16-26(32-25)34-18-21-9-7-6-8-10-21)28(22-11-13-23(31)14-12-22)27(19)29(20(2)33)35-30(3,4)5;1-15-14-20-19(10-11-21-27-12-13-28(20)21)23(17-6-8-18(26)9-7-17)22(15)24(16(2)29)30-25(3,4)5;1-14-12-19-18(10-11-20-27-26-13-28(19)20)22(16-6-8-17(25)9-7-16)21(14)23(15(2)29)30-24(3,4)5;1-13-12-18-17(10-11-19-25-26-27-28(18)19)21(15-6-8-16(24)9-7-15)20(13)22(14(2)29)30-23(3,4)5/h6-15,17,19-20,35H,16,18H2,1-5H3;6-17,29H,18H2,1-5H3;6-14,24H,1-5H3;6-13,23H,1-5H3;6-12,22H,1-5H3/t35-;29-;24-;23-;22-/m11111/s1
• InChIKey: ADMNBHWPLIXMLV-CYPKPMCXSA-N
• XLogP: 33.82
• TPSA: 283.61 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2309.49
LogP ≤ 5	33.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 157080580) is (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nc(-c4ccccc4)cn32)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nccn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nncn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nnnn32)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(OCc3ccccc3)ccc2c1-c1ccc(Cl)cc1.

What is the InChIKey of (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is ADMNBHWPLIXMLV-CYPKPMCXSA-N. The full InChI is InChI=1S/C36H33N3O3.C30H30ClNO3.C25H25ClN2O2.C24H24ClN3O2.C23H23ClN4O2/c1-21-19-28-25(12-14-30-38-27(20-39(28)30)23-9-7-6-8-10-23)33(31(21)35(22(2)40)42-36(3,4)5)26-11-13-29-32-24(16-18-41-29)15-17-37-34(26)32;1-19-17-25-24(15-16-26(32-25)34-18-21-9-7-6-8-10-21)28(22-11-13-23(31)14-12-22)27(19)29(20(2)33)35-30(3,4)5;1-15-14-20-19(10-11-21-27-12-13-28(20)21)23(17-6-8-18(26)9-7-17)22(15)24(16(2)29)30-25(3,4)5;1-14-12-19-18(10-11-20-27-26-13-28(19)20)22(16-6-8-17(25)9-7-16)21(14)23(15(2)29)30-24(3,4)5;1-13-12-18-17(10-11-19-25-26-27-28(18)19)21(15-6-8-16(24)9-7-15)20(13)22(14(2)29)30-23(3,4)5/h6-15,17,19-20,35H,16,18H2,1-5H3;6-17,29H,18H2,1-5H3;6-14,24H,1-5H3;6-13,23H,1-5H3;6-12,22H,1-5H3/t35-;29-;24-;23-;22-/m11111/s1.

What are the key properties of (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

(1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2309.49 g/mol, XLogP of 33.82, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-phenylmethoxyquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyltetrazolo[1,5-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[6-(4-chlorophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 157080580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).