1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C127H126Cl2N8O12 — CID 158362832

About 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 158362832) has the molecular formula C127H126Cl2N8O12 and a molecular weight of 2027.35 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 158362832
• Molecular Formula: C127H126Cl2N8O12
• Molecular Weight: 2027.35 g/mol
• Exact Mass: 2024.89
• IUPAC Name: 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[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(ccc(=O)n2-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nc(C(C)C)cn32)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccccc3)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C3CC3)ccc2c1-c1ccc2c3c(ccnc13)CCO2
• InChI: InChI=1S/C34H32N2O3.C33H35N3O3.C31H32N2O3.C29H27Cl2NO3/c1-20-19-27-24(11-13-26(36-27)22-9-7-6-8-10-22)31(29(20)33(21(2)37)39-34(3,4)5)25-12-14-28-30-23(16-18-38-28)15-17-35-32(25)30;1-18(2)24-17-36-25-16-19(3)28(32(20(4)37)39-33(5,6)7)30(22(25)9-11-27(36)35-24)23-8-10-26-29-21(13-15-38-26)12-14-34-31(23)29;1-17-16-24-21(8-10-23(33-24)19-6-7-19)28(26(17)30(18(2)34)36-31(3,4)5)22-9-11-25-27-20(13-15-35-25)12-14-32-29(22)27;1-17-16-24-23(14-15-25(34)32(24)22-12-10-21(31)11-13-22)27(19-6-8-20(30)9-7-19)26(17)28(18(2)33)35-29(3,4)5/h6-15,17,19,33H,16,18H2,1-5H3;8-12,14,16-18,32H,13,15H2,1-7H3;8-12,14,16,19,30H,6-7,13,15H2,1-5H3;6-16,28H,1-5H3/t33-;32-;30-;28-/m1111/s1
• InChIKey: GTRDMKIMQJQDTL-TYYWTRQLSA-N
• XLogP: 30.05
• TPSA: 236.64 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2027.35
LogP ≤ 5	30.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 158362832) is 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[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(ccc(=O)n2-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(ccc3nc(C(C)C)cn32)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccccc3)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C3CC3)ccc2c1-c1ccc2c3c(ccnc13)CCO2.

What is the InChIKey of 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is GTRDMKIMQJQDTL-TYYWTRQLSA-N. The full InChI is InChI=1S/C34H32N2O3.C33H35N3O3.C31H32N2O3.C29H27Cl2NO3/c1-20-19-27-24(11-13-26(36-27)22-9-7-6-8-10-22)31(29(20)33(21(2)37)39-34(3,4)5)25-12-14-28-30-23(16-18-38-28)15-17-35-32(25)30;1-18(2)24-17-36-25-16-19(3)28(32(20(4)37)39-33(5,6)7)30(22(25)9-11-27(36)35-24)23-8-10-26-29-21(13-15-38-26)12-14-34-31(23)29;1-17-16-24-21(8-10-23(33-24)19-6-7-19)28(26(17)30(18(2)34)36-31(3,4)5)22-9-11-25-27-20(13-15-35-25)12-14-32-29(22)27;1-17-16-24-23(14-15-25(34)32(24)22-12-10-21(31)11-13-22)27(19-6-8-20(30)9-7-19)26(17)28(18(2)33)35-29(3,4)5/h6-15,17,19,33H,16,18H2,1-5H3;8-12,14,16-18,32H,13,15H2,1-7H3;8-12,14,16,19,30H,6-7,13,15H2,1-5H3;6-16,28H,1-5H3/t33-;32-;30-;28-/m1111/s1.

What are the key properties of 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2027.35 g/mol, XLogP of 30.05, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis(4-chlorophenyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]quinolin-2-one;(1S)-1-[2-cyclopropyl-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-phenylquinolin-6-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-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 158362832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).