15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol

C157H145Cl6F2N13O7 — CID 161126645

About 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol

15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol (PubChem CID 161126645) has the molecular formula C157H145Cl6F2N13O7 and a molecular weight of 2576.68 g/mol. Its IUPAC name is 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

• Compound Name: 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol
• PubChem CID: 161126645
• Molecular Formula: C157H145Cl6F2N13O7
• Molecular Weight: 2576.68 g/mol
• Exact Mass: 2571.95
• IUPAC Name: 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol
• SMILES: CN(C)CCC(O)(c1ccc2nc(Cl)cc(-c3ccccc3)c2c1)c1ccccn1.CN(C)CCC(O)(c1ccc2nc(Cl)cc(-c3ccccc3)c2c1)c1ccco1.CN(C)CCC(O)(c1cccc2ccccc12)c1cccc2nc(Cl)c(-c3ccccc3)cc12.CN(C)CCC(O)(c1ccccc1)c1ccc2nc(Cl)cc(-c3ccccc3)c2c1.CN(C)CCC(O)(c1ccccc1)c1cccc2nc(Cl)c(-c3ccccc3)cc12.CN(C)CCC1(O)c2cc(F)cc(F)c2-c2c(-c3ccccc3)c(Cl)nc3cccc1c23
• InChI: InChI=1S/C30H27ClN2O.C26H21ClF2N2O.2C26H25ClN2O.C25H24ClN3O.C24H23ClN2O2/c1-33(2)19-18-30(34,26-15-8-13-21-12-6-7-14-23(21)26)27-16-9-17-28-25(27)20-24(29(31)32-28)22-10-4-3-5-11-22;1-31(2)12-11-26(32)17-9-6-10-20-23(17)24(22-18(26)13-16(28)14-19(22)29)21(25(27)30-20)15-7-4-3-5-8-15;1-29(2)17-16-26(30,20-12-7-4-8-13-20)23-14-9-15-24-22(23)18-21(25(27)28-24)19-10-5-3-6-11-19;1-29(2)16-15-26(30,20-11-7-4-8-12-20)21-13-14-24-23(17-21)22(18-25(27)28-24)19-9-5-3-6-10-19;1-29(2)15-13-25(30,23-10-6-7-14-27-23)19-11-12-22-21(16-19)20(17-24(26)28-22)18-8-4-3-5-9-18;1-27(2)13-12-24(28,22-9-6-14-29-22)18-10-11-21-20(15-18)19(16-23(25)26-21)17-7-4-3-5-8-17/h3-17,20,34H,18-19H2,1-2H3;3-10,13-14,32H,11-12H2,1-2H3;3-15,18,30H,16-17H2,1-2H3;3-14,17-18,30H,15-16H2,1-2H3;3-12,14,16-17,30H,13,15H2,1-2H3;3-11,14-16,28H,12-13H2,1-2H3
• InChIKey: ULQLCKTUZZFSPE-UHFFFAOYSA-N
• XLogP: 34.86
• TPSA: 244.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2576.68
LogP ≤ 5	34.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol?

The IUPAC name of 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol (CID 161126645) is 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol.

What is the SMILES notation for 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol?

The canonical SMILES for 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol is CN(C)CCC(O)(c1ccc2nc(Cl)cc(-c3ccccc3)c2c1)c1ccccn1.CN(C)CCC(O)(c1ccc2nc(Cl)cc(-c3ccccc3)c2c1)c1ccco1.CN(C)CCC(O)(c1cccc2ccccc12)c1cccc2nc(Cl)c(-c3ccccc3)cc12.CN(C)CCC(O)(c1ccccc1)c1ccc2nc(Cl)cc(-c3ccccc3)c2c1.CN(C)CCC(O)(c1ccccc1)c1cccc2nc(Cl)c(-c3ccccc3)cc12.CN(C)CCC1(O)c2cc(F)cc(F)c2-c2c(-c3ccccc3)c(Cl)nc3cccc1c23.

What is the InChIKey of 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol?

The InChIKey is ULQLCKTUZZFSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN2O.C26H21ClF2N2O.2C26H25ClN2O.C25H24ClN3O.C24H23ClN2O2/c1-33(2)19-18-30(34,26-15-8-13-21-12-6-7-14-23(21)26)27-16-9-17-28-25(27)20-24(29(31)32-28)22-10-4-3-5-11-22;1-31(2)12-11-26(32)17-9-6-10-20-23(17)24(22-18(26)13-16(28)14-19(22)29)21(25(27)30-20)15-7-4-3-5-8-15;1-29(2)17-16-26(30,20-12-7-4-8-13-20)23-14-9-15-24-22(23)18-21(25(27)28-24)19-10-5-3-6-11-19;1-29(2)16-15-26(30,20-11-7-4-8-12-20)21-13-14-24-23(17-21)22(18-25(27)28-24)19-9-5-3-6-10-19;1-29(2)15-13-25(30,23-10-6-7-14-27-23)19-11-12-22-21(16-19)20(17-24(26)28-22)18-8-4-3-5-9-18;1-27(2)13-12-24(28,22-9-6-14-29-22)18-10-11-21-20(15-18)19(16-23(25)26-21)17-7-4-3-5-8-17/h3-17,20,34H,18-19H2,1-2H3;3-10,13-14,32H,11-12H2,1-2H3;3-15,18,30H,16-17H2,1-2H3;3-14,17-18,30H,15-16H2,1-2H3;3-12,14,16-17,30H,13,15H2,1-2H3;3-11,14-16,28H,12-13H2,1-2H3.

What are the key properties of 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol?

15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol has a molecular weight of 2576.68 g/mol, XLogP of 34.86, 34 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 15-chloro-8-[2-(dimethylamino)ethyl]-3,5-difluoro-16-phenyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-(furan-2-yl)propan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-naphthalen-1-ylpropan-1-ol;1-(2-chloro-3-phenylquinolin-5-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-phenylpropan-1-ol;1-(2-chloro-4-phenylquinolin-6-yl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 161126645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).