tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

C165H129Cl11F11N19O11 — CID 159758485

About tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol

tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (PubChem CID 159758485) has the molecular formula C165H129Cl11F11N19O11 and a molecular weight of 3152.93 g/mol. Its IUPAC name is tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.

Molecular Properties

• Compound Name: tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
• PubChem CID: 159758485
• Molecular Formula: C165H129Cl11F11N19O11
• Molecular Weight: 3152.93 g/mol
• Exact Mass: 3145.65
• IUPAC Name: tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
• SMILES: CC(C)(C)OC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(Cl)c3c2)CC1.COc1nc2c(C)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(OC(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1.OC(c1ccccc1)(c1ccc2nc(Cl)c(-c3ccccc3Cl)c(Cl)c2c1)c1ncco1.OC(c1cccnc1)(c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(Cl)c2c1)C1CCNCC1
• InChI: InChI=1S/C32H31ClF3N3O3.C30H24ClF5N4O3.C27H23ClF3N3O.C26H18Cl3N3O.C25H15Cl3N2O2.C25H18Cl2N4O/c1-30(2,3)42-29(40)39-16-13-21(14-17-39)31(41,23-10-7-15-37-19-23)22-11-12-25-24(18-22)27(33)26(20-8-5-4-6-9-20)28(38-25)32(34,35)36;1-16-11-19(29(41,23-14-37-15-40(23)3)18-7-10-22(38-13-18)30(34,35)36)12-21-25(31)24(27(42-4)39-26(16)21)17-5-8-20(9-6-17)43-28(2,32)33;28-24-21-15-19(26(35,18-10-13-32-14-11-18)20-7-4-12-33-16-20)8-9-22(21)34-25(27(29,30)31)23(24)17-5-2-1-3-6-17;1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16;26-19-9-5-4-8-17(19)21-22(27)18-14-16(10-11-20(18)30-23(21)28)25(31,24-29-12-13-32-24)15-6-2-1-3-7-15;1-31-15-28-14-21(31)25(32,20-9-5-6-12-29-20)17-10-11-19-18(13-17)23(26)22(24(27)30-19)16-7-3-2-4-8-16/h4-12,15,18-19,21,41H,13-14,16-17H2,1-3H3;5-15,41H,1-4H3;1-9,12,15-16,18,32,35H,10-11,13-14H2;2-15,33H,1H3;1-14,31H;2-15,32H,1H3
• InChIKey: NEOMVTZJPHZDTR-UHFFFAOYSA-N
• XLogP: 40.99
• TPSA: 389.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3152.93
LogP ≤ 5	40.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

The IUPAC name of tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol (CID 159758485) is tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol.

What is the SMILES notation for tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

The canonical SMILES for tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is CC(C)(C)OC(=O)N1CCC(C(O)(c2cccnc2)c2ccc3nc(C(F)(F)F)c(-c4ccccc4)c(Cl)c3c2)CC1.COc1nc2c(C)cc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(Cl)c1-c1ccc(OC(C)(F)F)cc1.Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1.Cn1cncc1C(O)(c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1.OC(c1ccccc1)(c1ccc2nc(Cl)c(-c3ccccc3Cl)c(Cl)c2c1)c1ncco1.OC(c1cccnc1)(c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(Cl)c2c1)C1CCNCC1.

What is the InChIKey of tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

The InChIKey is NEOMVTZJPHZDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClF3N3O3.C30H24ClF5N4O3.C27H23ClF3N3O.C26H18Cl3N3O.C25H15Cl3N2O2.C25H18Cl2N4O/c1-30(2,3)42-29(40)39-16-13-21(14-17-39)31(41,23-10-7-15-37-19-23)22-11-12-25-24(18-22)27(33)26(20-8-5-4-6-9-20)28(38-25)32(34,35)36;1-16-11-19(29(41,23-14-37-15-40(23)3)18-7-10-22(38-13-18)30(34,35)36)12-21-25(31)24(27(42-4)39-26(16)21)17-5-8-20(9-6-17)43-28(2,32)33;28-24-21-15-19(26(35,18-10-13-32-14-11-18)20-7-4-12-33-16-20)8-9-22(21)34-25(27(29,30)31)23(24)17-5-2-1-3-6-17;1-32-15-30-14-22(32)26(33,17-7-10-19(27)11-8-17)18-9-12-21-20(13-18)24(28)23(25(29)31-21)16-5-3-2-4-6-16;26-19-9-5-4-8-17(19)21-22(27)18-14-16(10-11-20(18)30-23(21)28)25(31,24-29-12-13-32-24)15-6-2-1-3-7-15;1-31-15-28-14-21(31)25(32,20-9-5-6-12-29-20)17-10-11-19-18(13-17)23(26)22(24(27)30-19)16-7-3-2-4-8-16/h4-12,15,18-19,21,41H,13-14,16-17H2,1-3H3;5-15,41H,1-4H3;1-9,12,15-16,18,32,35H,10-11,13-14H2;2-15,33H,1H3;1-14,31H;2-15,32H,1H3.

What are the key properties of tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol?

tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol has a molecular weight of 3152.93 g/mol, XLogP of 40.99, 27 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-hydroxy-pyridin-3-ylmethyl]piperidine-1-carboxylate;[4-chloro-3-[4-(1,1-difluoroethoxy)phenyl]-2-methoxy-8-methylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-piperidin-4-yl-pyridin-3-ylmethanol;[2,4-dichloro-3-(2-chlorophenyl)quinolin-6-yl]-(1,3-oxazol-2-yl)-phenylmethanol;(2,4-dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol is sourced from PubChem (CID 159758485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).