1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane

C143H147Cl12F3N24O15S — CID 158236705

About 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane

1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane (PubChem CID 158236705) has the molecular formula C143H147Cl12F3N24O15S and a molecular weight of 2956.40 g/mol. Its IUPAC name is 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane.

Molecular Properties

• Compound Name: 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane
• PubChem CID: 158236705
• Molecular Formula: C143H147Cl12F3N24O15S
• Molecular Weight: 2956.40 g/mol
• Exact Mass: 2948.74
• IUPAC Name: 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane
• SMILES: C.C.CC(=O)N1CCC(C(O)(c2ccccc2)c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)CC1.CC(C)Oc1c(Cl)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CC(C)Oc1c(Cl)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC(C)(C)O.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)s1
• InChI: InChI=1S/C26H28Cl2N2O3.C25H28ClN5O4.C23H20Cl3N3O2.C23H19Cl2F3N4O2.C23H23Cl2N5O2.C21H21Cl2N5O2S.2CH4/c1-16(2)33-24-23(27)21-15-20(9-10-22(21)29-25(24)28)26(32,18-7-5-4-6-8-18)19-11-13-30(14-12-19)17(3)31;1-14-7-9-18(15(2)28-14)25(33,20-12-27-30-31(20)5)16-8-10-19-17(11-16)21(26)22(23(29-19)34-6)35-13-24(3,4)32;1-13(2)31-21-20(25)17-10-15(6-9-18(17)28-22(21)26)23(30,19-11-27-12-29(19)3)14-4-7-16(24)8-5-14;1-12(2)34-20-19(24)15-8-13(4-6-16(15)31-21(20)25)22(33,18-10-29-11-32(18)3)14-5-7-17(30-9-14)23(26,27)28;1-12(2)32-21-20(24)16-10-15(7-9-18(16)28-22(21)25)23(31,19-11-26-29-30(19)5)17-8-6-13(3)27-14(17)4;1-10(2)30-18-17(22)14-8-13(6-7-15(14)26-20(18)23)21(29,16-9-24-27-28(16)5)19-11(3)25-12(4)31-19;;/h4-10,15-16,19,32H,11-14H2,1-3H3;7-12,32-33H,13H2,1-6H3;4-13,30H,1-3H3;4-12,33H,1-3H3;6-12,31H,1-5H3;6-10,29H,1-5H3;2*1H4
• InChIKey: GFAZWHZFUZPOFW-UHFFFAOYSA-N
• XLogP: 31.89
• TPSA: 483.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2956.40
LogP ≤ 5	31.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane?

The IUPAC name of 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane (CID 158236705) is 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane.

What is the SMILES notation for 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane?

The canonical SMILES for 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane is C.C.CC(=O)N1CCC(C(O)(c2ccccc2)c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)CC1.CC(C)Oc1c(Cl)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c1Cl.CC(C)Oc1c(Cl)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCC(C)(C)O.Cc1ccc(C(O)(c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)c(C)n1.Cc1nc(C)c(C(O)(c2ccc3nc(Cl)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)s1.

What is the InChIKey of 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane?

The InChIKey is GFAZWHZFUZPOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O3.C25H28ClN5O4.C23H20Cl3N3O2.C23H19Cl2F3N4O2.C23H23Cl2N5O2.C21H21Cl2N5O2S.2CH4/c1-16(2)33-24-23(27)21-15-20(9-10-22(21)29-25(24)28)26(32,18-7-5-4-6-8-18)19-11-13-30(14-12-19)17(3)31;1-14-7-9-18(15(2)28-14)25(33,20-12-27-30-31(20)5)16-8-10-19-17(11-16)21(26)22(23(29-19)34-6)35-13-24(3,4)32;1-13(2)31-21-20(25)17-10-15(6-9-18(17)28-22(21)26)23(30,19-11-27-12-29(19)3)14-4-7-16(24)8-5-14;1-12(2)34-20-19(24)15-8-13(4-6-16(15)31-21(20)25)22(33,18-10-29-11-32(18)3)14-5-7-17(30-9-14)23(26,27)28;1-12(2)32-21-20(24)16-10-15(7-9-18(16)28-22(21)25)23(31,19-11-26-29-30(19)5)17-8-6-13(3)27-14(17)4;1-10(2)30-18-17(22)14-8-13(6-7-15(14)26-20(18)23)21(29,16-9-24-27-28(16)5)19-11(3)25-12(4)31-19;;/h4-10,15-16,19,32H,11-14H2,1-3H3;7-12,32-33H,13H2,1-6H3;4-13,30H,1-3H3;4-12,33H,1-3H3;6-12,31H,1-5H3;6-10,29H,1-5H3;2*1H4.

What are the key properties of 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane?

1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane has a molecular weight of 2956.40 g/mol, XLogP of 31.89, 32 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-6-[(2,6-dimethyl-3-pyridinyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-2-methoxyquinolin-3-yl]oxy-2-methylpropan-2-ol;(4-chlorophenyl)-(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methanol;1-[4-[(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;(2,4-dichloro-3-propan-2-yloxyquinolin-6-yl)-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;methane is sourced from PubChem (CID 158236705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).