(2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C101H99ClF14N8O5 — CID 161429363

About (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 161429363) has the molecular formula C101H99ClF14N8O5 and a molecular weight of 1806.38 g/mol. Its IUPAC name is (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• PubChem CID: 161429363
• Molecular Formula: C101H99ClF14N8O5
• Molecular Weight: 1806.38 g/mol
• Exact Mass: 1804.72
• IUPAC Name: (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol
• SMILES: CCOc1cccc(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)c1.CCc1cc(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)ccc1Cl.Cc1ccc(F)c(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)c1.O[C@H](CN1c2ccccc2N(Cc2cccc(F)c2)C[C@H]1c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C26H26ClF3N2O.C26H27F3N2O2.C25H24F4N2O.C24H22F4N2O/c1-2-19-14-18(12-13-21(19)27)15-31-16-24(20-8-4-3-5-9-20)32(17-25(33)26(28,29)30)23-11-7-6-10-22(23)31;1-2-33-21-12-8-9-19(15-21)16-30-17-24(20-10-4-3-5-11-20)31(18-25(32)26(27,28)29)23-14-7-6-13-22(23)30;1-17-11-12-20(26)19(13-17)14-30-15-23(18-7-3-2-4-8-18)31(16-24(32)25(27,28)29)22-10-6-5-9-21(22)30;25-19-10-6-7-17(13-19)14-29-15-22(18-8-2-1-3-9-18)30(16-23(31)24(26,27)28)21-12-5-4-11-20(21)29/h3-14,24-25,33H,2,15-17H2,1H3;3-15,24-25,32H,2,16-18H2,1H3;2-13,23-24,32H,14-16H2,1H3;1-13,22-23,31H,14-16H2/t2*24-,25+;23-,24+;22-,23+/m0000/s1
• InChIKey: VXUOHABEMFJTCE-XTNNCADYSA-N
• XLogP: 22.91
• TPSA: 116.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.38
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The IUPAC name of (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 161429363) is (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

What is the SMILES notation for (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The canonical SMILES for (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol is CCOc1cccc(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)c1.CCc1cc(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)ccc1Cl.Cc1ccc(F)c(CN2C[C@@H](c3ccccc3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)c1.O[C@H](CN1c2ccccc2N(Cc2cccc(F)c2)C[C@H]1c1ccccc1)C(F)(F)F.

What is the InChIKey of (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

The InChIKey is VXUOHABEMFJTCE-XTNNCADYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O.C26H27F3N2O2.C25H24F4N2O.C24H22F4N2O/c1-2-19-14-18(12-13-21(19)27)15-31-16-24(20-8-4-3-5-9-20)32(17-25(33)26(28,29)30)23-11-7-6-10-22(23)31;1-2-33-21-12-8-9-19(15-21)16-30-17-24(20-10-4-3-5-11-20)31(18-25(32)26(27,28)29)23-14-7-6-13-22(23)30;1-17-11-12-20(26)19(13-17)14-30-15-23(18-7-3-2-4-8-18)31(16-24(32)25(27,28)29)22-10-6-5-9-21(22)30;25-19-10-6-7-17(13-19)14-29-15-22(18-8-2-1-3-9-18)30(16-23(31)24(26,27)28)21-12-5-4-11-20(21)29/h3-14,24-25,33H,2,15-17H2,1H3;3-15,24-25,32H,2,16-18H2,1H3;2-13,23-24,32H,14-16H2,1H3;1-13,22-23,31H,14-16H2/t2*24-,25+;23-,24+;22-,23+/m0000/s1.

What are the key properties of (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol?

(2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 1806.38 g/mol, XLogP of 22.91, 23 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[(2R)-4-[(4-chloro-3-ethylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[(2R)-4-[(3-ethoxyphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(2-fluoro-5-methylphenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[(2R)-4-[(3-fluorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 161429363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).