(1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C137H146Cl7N9O12 — CID 157463782

About (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 157463782) has the molecular formula C137H146Cl7N9O12 and a molecular weight of 2358.90 g/mol. Its IUPAC name is (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 157463782
• Molecular Formula: C137H146Cl7N9O12
• Molecular Weight: 2358.90 g/mol
• Exact Mass: 2353.89
• IUPAC Name: (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Nc3ccc(Cl)cc3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Oc3ccc(Cl)cc3)ccc2c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C29H28Cl2N2O2.C29H27Cl2NO3.C27H31ClN2O3.C27H31ClN2O2.C25H29ClN2O2/c1-17-16-24-23(14-15-25(33-24)32-22-12-10-21(31)11-13-22)27(19-6-8-20(30)9-7-19)26(17)28(18(2)34)35-29(3,4)5;1-17-16-24-23(14-15-25(32-24)34-22-12-10-21(31)11-13-22)27(19-6-8-20(30)9-7-19)26(17)28(18(2)33)35-29(3,4)5;1-17-16-22-21(10-11-23(29-22)30-12-14-32-15-13-30)25(19-6-8-20(28)9-7-19)24(17)26(18(2)31)33-27(3,4)5;1-17-16-22-21(12-13-23(29-22)30-14-6-7-15-30)25(19-8-10-20(28)11-9-19)24(17)26(18(2)31)32-27(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5/h6-16,28H,1-5H3,(H,32,33);6-16,28H,1-5H3;6-11,16,26H,12-15H2,1-5H3;8-13,16,26H,6-7,14-15H2,1-5H3;8-14,24H,1-7H3/t2*28-;2*26-;24-/m11111/s1
• InChIKey: BUFSZNOOYAUDIL-LDLXBHCVSA-N
• XLogP: 36.89
• TPSA: 236.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.90
LogP ≤ 5	36.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 157463782) is (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N(C)C)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(N3CCOCC3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Nc3ccc(Cl)cc3)ccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(Oc3ccc(Cl)cc3)ccc2c1-c1ccc(Cl)cc1.

What is the InChIKey of (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is BUFSZNOOYAUDIL-LDLXBHCVSA-N. The full InChI is InChI=1S/C29H28Cl2N2O2.C29H27Cl2NO3.C27H31ClN2O3.C27H31ClN2O2.C25H29ClN2O2/c1-17-16-24-23(14-15-25(33-24)32-22-12-10-21(31)11-13-22)27(19-6-8-20(30)9-7-19)26(17)28(18(2)34)35-29(3,4)5;1-17-16-24-23(14-15-25(32-24)34-22-12-10-21(31)11-13-22)27(19-6-8-20(30)9-7-19)26(17)28(18(2)33)35-29(3,4)5;1-17-16-22-21(10-11-23(29-22)30-12-14-32-15-13-30)25(19-6-8-20(28)9-7-19)24(17)26(18(2)31)33-27(3,4)5;1-17-16-22-21(12-13-23(29-22)30-14-6-7-15-30)25(19-8-10-20(28)11-9-19)24(17)26(18(2)31)32-27(3,4)5;1-15-14-20-19(12-13-21(27-20)28(6)7)23(17-8-10-18(26)11-9-17)22(15)24(16(2)29)30-25(3,4)5/h6-16,28H,1-5H3,(H,32,33);6-16,28H,1-5H3;6-11,16,26H,12-15H2,1-5H3;8-13,16,26H,6-7,14-15H2,1-5H3;8-14,24H,1-7H3/t2*28-;2*26-;24-/m11111/s1.

What are the key properties of (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

(1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2358.90 g/mol, XLogP of 36.89, 27 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[2-(4-chloroanilino)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[2-(4-chlorophenoxy)-5-(4-chlorophenyl)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-2-(dimethylamino)-7-methylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-morpholin-4-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[5-(4-chlorophenyl)-7-methyl-2-pyrrolidin-1-ylquinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 157463782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).