(2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C101H86Cl5F24N9O4 — CID 162015154

About (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 162015154) has the molecular formula C101H86Cl5F24N9O4 and a molecular weight of 2123.07 g/mol. Its IUPAC name is (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 162015154
• Molecular Formula: C101H86Cl5F24N9O4
• Molecular Weight: 2123.07 g/mol
• Exact Mass: 2119.49
• IUPAC Name: (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• SMILES: Cc1cc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)cc(Cl)n1.Cc1ccccc1CN1C[C@@H](c2cccc(C(F)(F)F)c2)N(C[C@@H](O)C(F)(F)F)c2ccccc21.O[C@H](CN1c2ccccc2N(Cc2c(Cl)cccc2Cl)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(Cl)c2Cl)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F
• InChI: InChI=1S/C26H24F6N2O.2C25H20Cl2F6N2O.C25H22ClF6N3O/c1-17-7-2-3-8-19(17)14-33-15-23(18-9-6-10-20(13-18)25(27,28)29)34(16-24(35)26(30,31)32)22-12-5-4-11-21(22)33;26-18-8-4-6-16(23(18)27)12-34-13-21(15-5-3-7-17(11-15)24(28,29)30)35(14-22(36)25(31,32)33)20-10-2-1-9-19(20)34;26-18-7-4-8-19(27)17(18)12-34-13-22(15-5-3-6-16(11-15)24(28,29)30)35(14-23(36)25(31,32)33)21-10-2-1-9-20(21)34;1-15-9-16(10-23(26)33-15)12-34-13-21(17-5-4-6-18(11-17)24(27,28)29)35(14-22(36)25(30,31)32)20-8-3-2-7-19(20)34/h2-13,23-24,35H,14-16H2,1H3;1-11,21-22,36H,12-14H2;1-11,22-23,36H,12-14H2;2-11,21-22,36H,12-14H2,1H3/t23-,24+;21-,22+;22-,23+;21-,22+/m0000/s1
• InChIKey: YTZUSFHPZKYLTQ-NQJUEXNHSA-N
• XLogP: 28.06
• TPSA: 119.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.07
LogP ≤ 5	28.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The IUPAC name of (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 162015154) is (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is Cc1cc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)cc(Cl)n1.Cc1ccccc1CN1C[C@@H](c2cccc(C(F)(F)F)c2)N(C[C@@H](O)C(F)(F)F)c2ccccc21.O[C@H](CN1c2ccccc2N(Cc2c(Cl)cccc2Cl)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F.O[C@H](CN1c2ccccc2N(Cc2cccc(Cl)c2Cl)C[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F.

What is the InChIKey of (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The InChIKey is YTZUSFHPZKYLTQ-NQJUEXNHSA-N. The full InChI is InChI=1S/C26H24F6N2O.2C25H20Cl2F6N2O.C25H22ClF6N3O/c1-17-7-2-3-8-19(17)14-33-15-23(18-9-6-10-20(13-18)25(27,28)29)34(16-24(35)26(30,31)32)22-12-5-4-11-21(22)33;26-18-8-4-6-16(23(18)27)12-34-13-21(15-5-3-7-17(11-15)24(28,29)30)35(14-22(36)25(31,32)33)20-10-2-1-9-19(20)34;26-18-7-4-8-19(27)17(18)12-34-13-22(15-5-3-6-16(11-15)24(28,29)30)35(14-23(36)25(31,32)33)21-10-2-1-9-20(21)34;1-15-9-16(10-23(26)33-15)12-34-13-21(17-5-4-6-18(11-17)24(27,28)29)35(14-22(36)25(30,31)32)20-8-3-2-7-19(20)34/h2-13,23-24,35H,14-16H2,1H3;1-11,21-22,36H,12-14H2;1-11,22-23,36H,12-14H2;2-11,21-22,36H,12-14H2,1H3/t23-,24+;21-,22+;22-,23+;21-,22+/m0000/s1.

What are the key properties of (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

(2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 2123.07 g/mol, XLogP of 28.06, 20 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[(2R)-4-[(2-chloro-6-methyl-4-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,3-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(2,6-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 162015154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).