6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride

C58H54BrCl5F6N6O6S2 — CID 162027234

About 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride

6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 162027234) has the molecular formula C58H54BrCl5F6N6O6S2 and a molecular weight of 1366.40 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride
• PubChem CID: 162027234
• Molecular Formula: C58H54BrCl5F6N6O6S2
• Molecular Weight: 1366.40 g/mol
• Exact Mass: 1362.11
• IUPAC Name: 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride
• SMILES: COc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(Br)ccnc12.COc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(S(=O)(=O)C(F)(F)F)CC3)ccnc12.Cl.NC1CCN(S(=O)(=O)C(F)(F)F)CC1
• InChI: InChI=1S/C29H26Cl2F3N3O3S.C23H16BrCl2NO.C6H11F3N2O2S.ClH/c1-40-26-17-20(27(18-2-6-21(30)7-3-18)19-4-8-22(31)9-5-19)16-24-25(10-13-35-28(24)26)36-23-11-14-37(15-12-23)41(38,39)29(32,33)34;1-28-21-13-16(12-19-20(24)10-11-27-23(19)21)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15;7-6(8,9)14(12,13)11-3-1-5(10)2-4-11;/h2-10,13,16-17,23,27H,11-12,14-15H2,1H3,(H,35,36);2-13,22H,1H3;5H,1-4,10H2;1H
• InChIKey: SIAIPLNYXRMIIO-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 157.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1366.40
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride?

The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride (CID 162027234) is 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride.

What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride?

The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride is COc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(Br)ccnc12.COc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(S(=O)(=O)C(F)(F)F)CC3)ccnc12.Cl.NC1CCN(S(=O)(=O)C(F)(F)F)CC1.

What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride?

The InChIKey is SIAIPLNYXRMIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2F3N3O3S.C23H16BrCl2NO.C6H11F3N2O2S.ClH/c1-40-26-17-20(27(18-2-6-21(30)7-3-18)19-4-8-22(31)9-5-19)16-24-25(10-13-35-28(24)26)36-23-11-14-37(15-12-23)41(38,39)29(32,33)34;1-28-21-13-16(12-19-20(24)10-11-27-23(19)21)22(14-2-6-17(25)7-3-14)15-4-8-18(26)9-5-15;7-6(8,9)14(12,13)11-3-1-5(10)2-4-11;/h2-10,13,16-17,23,27H,11-12,14-15H2,1H3,(H,35,36);2-13,22H,1H3;5H,1-4,10H2;1H.

What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride?

6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 1366.40 g/mol, XLogP of 15.63, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[bis(4-chlorophenyl)methyl]-4-bromo-8-methoxyquinoline;6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine;1-(trifluoromethylsulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 162027234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).