(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C₁₀₈H₇₆Cl₉F₃N₁₈O₅S₃ — CID 159380553

About (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 159380553) has the molecular formula C₁₀₈H₇₆Cl₉F₃N₁₈O₅S₃ and a molecular weight of 2178.19 g/mol. Its IUPAC name is (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• PubChem CID: 159380553
• Molecular Formula: C₁₀₈H₇₆Cl₉F₃N₁₈O₅S₃
• Molecular Weight: 2178.19 g/mol
• Exact Mass: 2172.26
• IUPAC Name: (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
• SMILES: COc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccccc4)c(Cl)c3c2)c2cncs2)cn1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncs1.OC(c1cccnc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1
• InChI: InChI=1S/C30H21Cl2F3N6O.C27H20Cl2N6OS.C26H19Cl2N3O2S.C25H16Cl3N3OS/c1-40-17-36-16-26(40)29(42,20-6-10-25(37-15-20)30(33,34)35)19-5-9-24-22(14-19)27(31)23(28(32)39-24)13-18-3-7-21(8-4-18)41-12-2-11-38-41;1-34-15-30-13-23(34)27(36,24-14-31-16-37-24)18-5-8-22-20(12-18)25(28)21(26(29)33-22)11-17-3-6-19(7-4-17)35-10-2-9-32-35;1-33-23-10-8-18(13-30-23)26(32,22-14-29-15-34-22)17-7-9-21-19(12-17)24(27)20(25(28)31-21)11-16-5-3-2-4-6-16;26-18-6-3-15(4-7-18)10-20-23(27)19-11-16(5-8-21(19)31-24(20)28)25(32,22-13-30-14-33-22)17-2-1-9-29-12-17/h2-12,14-17,42H,13H2,1H3;2-10,12-16,36H,11H2,1H3;2-10,12-15,32H,11H2,1H3;1-9,11-14,32H,10H2
• InChIKey: LKVSRXJJFLIPCV-UHFFFAOYSA-N
• XLogP: 25.74
• TPSA: 290.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2178.19
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The IUPAC name of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 159380553) is (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

What is the SMILES notation for (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The canonical SMILES for (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COc1ccc(C(O)(c2ccc3nc(Cl)c(Cc4ccccc4)c(Cl)c3c2)c2cncs2)cn1.Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncs1.OC(c1cccnc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1.

What is the InChIKey of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

The InChIKey is LKVSRXJJFLIPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl2F3N6O.C27H20Cl2N6OS.C26H19Cl2N3O2S.C25H16Cl3N3OS/c1-40-17-36-16-26(40)29(42,20-6-10-25(37-15-20)30(33,34)35)19-5-9-24-22(14-19)27(31)23(28(32)39-24)13-18-3-7-21(8-4-18)41-12-2-11-38-41;1-34-15-30-13-23(34)27(36,24-14-31-16-37-24)18-5-8-22-20(12-18)25(28)21(26(29)33-22)11-17-3-6-19(7-4-17)35-10-2-9-32-35;1-33-23-10-8-18(13-30-23)26(32,22-14-29-15-34-22)17-7-9-21-19(12-17)24(27)20(25(28)31-21)11-16-5-3-2-4-6-16;26-18-6-3-15(4-7-18)10-20-23(27)19-11-16(5-8-21(19)31-24(20)28)25(32,22-13-30-14-33-22)17-2-1-9-29-12-17/h2-12,14-17,42H,13H2,1H3;2-10,12-16,36H,11H2,1H3;2-10,12-15,32H,11H2,1H3;1-9,11-14,32H,10H2.

What are the key properties of (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?

(3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 2178.19 g/mol, XLogP of 25.74, 23 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3-benzyl-2,4-dichloroquinolin-6-yl)-(6-methoxy-3-pyridinyl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-chlorophenyl)methyl]quinolin-6-yl]-pyridin-3-yl-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(1,3-thiazol-5-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 159380553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159380553 — identifiers, structure, computed properties (public domain)

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