[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

C157H129Cl13F3N23O11 — CID 159471120

About [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol

[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 159471120) has the molecular formula C157H129Cl13F3N23O11 and a molecular weight of 3031.79 g/mol. Its IUPAC name is [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

• Compound Name: [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
• PubChem CID: 159471120
• Molecular Formula: C157H129Cl13F3N23O11
• Molecular Weight: 3031.79 g/mol
• Exact Mass: 3023.61
• IUPAC Name: [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
• SMILES: COc1nc2ccc(C(O)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.COc1nc2ccc(C(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.Cc1cc(C(O)c2cncn2C)cc2c(Cl)c(-c3ccccc3)c(Cl)nc12.Cc1noc(C)c1C(O)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)c1ccc2nc(Cl)c(-c3ccccc3Cl)c(Cl)c2c1.Cn1cncc1C(O)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1
• InChI: InChI=1S/C26H26ClF3N2O3.C25H22ClN5O2.C24H19Cl2N5O.C21H17Cl2N3O.C21H16Cl2N2O2.C20H14Cl3N3O.C20H15Cl2N3O/c1-15(33)32-11-9-17(10-12-32)24(34)18-5-8-22-20(14-18)23(27)21(25(31-22)35-2)13-16-3-6-19(7-4-16)26(28,29)30;1-30-22(15-27-29-30)24(32)17-7-10-21-19(14-17)23(26)20(25(28-21)33-2)13-16-5-8-18(9-6-16)31-11-3-4-12-31;1-30-14-27-13-21(30)23(32)16-5-8-20-18(12-16)22(25)19(24(26)29-20)11-15-3-6-17(7-4-15)31-10-2-9-28-31;1-12-8-14(20(27)16-10-24-11-26(16)2)9-15-18(22)17(21(23)25-19(12)15)13-6-4-3-5-7-13;1-11-17(12(2)27-25-11)20(26)14-8-9-16-15(10-14)19(22)18(21(23)24-16)13-6-4-3-5-7-13;1-26-10-24-9-16(26)19(27)11-6-7-15-13(8-11)18(22)17(20(23)25-15)12-4-2-3-5-14(12)21;1-25-11-23-10-16(25)19(26)13-7-8-15-14(9-13)18(21)17(20(22)24-15)12-5-3-2-4-6-12/h3-8,14,17,24,34H,9-13H2,1-2H3;3-12,14-15,24,32H,13H2,1-2H3;2-10,12-14,23,32H,11H2,1H3;3-11,20,27H,1-2H3;3-10,20,26H,1-2H3;2-10,19,27H,1H3;2-11,19,26H,1H3
• InChIKey: LVUYSWZWESZZLE-UHFFFAOYSA-N
• XLogP: 37.35
• TPSA: 421.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3031.79
LogP ≤ 5	37.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The IUPAC name of [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol (CID 159471120) is [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol.

What is the SMILES notation for [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The canonical SMILES for [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is COc1nc2ccc(C(O)C3CCN(C(C)=O)CC3)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.COc1nc2ccc(C(O)c3cnnn3C)cc2c(Cl)c1Cc1ccc(-n2cccc2)cc1.Cc1cc(C(O)c2cncn2C)cc2c(Cl)c(-c3ccccc3)c(Cl)nc12.Cc1noc(C)c1C(O)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)c1ccc2nc(Cl)c(-c3ccccc3Cl)c(Cl)c2c1.Cn1cncc1C(O)c1ccc2nc(Cl)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1.

What is the InChIKey of [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

The InChIKey is LVUYSWZWESZZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O3.C25H22ClN5O2.C24H19Cl2N5O.C21H17Cl2N3O.C21H16Cl2N2O2.C20H14Cl3N3O.C20H15Cl2N3O/c1-15(33)32-11-9-17(10-12-32)24(34)18-5-8-22-20(14-18)23(27)21(25(31-22)35-2)13-16-3-6-19(7-4-16)26(28,29)30;1-30-22(15-27-29-30)24(32)17-7-10-21-19(14-17)23(26)20(25(28-21)33-2)13-16-5-8-18(9-6-16)31-11-3-4-12-31;1-30-14-27-13-21(30)23(32)16-5-8-20-18(12-16)22(25)19(24(26)29-20)11-15-3-6-17(7-4-15)31-10-2-9-28-31;1-12-8-14(20(27)16-10-24-11-26(16)2)9-15-18(22)17(21(23)25-19(12)15)13-6-4-3-5-7-13;1-11-17(12(2)27-25-11)20(26)14-8-9-16-15(10-14)19(22)18(21(23)24-16)13-6-4-3-5-7-13;1-26-10-24-9-16(26)19(27)11-6-7-15-13(8-11)18(22)17(20(23)25-15)12-4-2-3-5-14(12)21;1-25-11-23-10-16(25)19(26)13-7-8-15-14(9-13)18(21)17(20(22)24-15)12-5-3-2-4-6-12/h3-8,14,17,24,34H,9-13H2,1-2H3;3-12,14-15,24,32H,13H2,1-2H3;2-10,12-14,23,32H,11H2,1H3;3-11,20,27H,1-2H3;3-10,20,26H,1-2H3;2-10,19,27H,1H3;2-11,19,26H,1H3.

What are the key properties of [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol?

[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 3031.79 g/mol, XLogP of 37.35, 28 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methyltriazol-4-yl)methanol;1-[4-[[4-chloro-2-methoxy-3-[[4-(trifluoromethyl)phenyl]methyl]quinolin-6-yl]-hydroxymethyl]piperidin-1-yl]ethanone;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-8-methyl-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[2,4-dichloro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 159471120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).