(2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

C26H25F6N3O2 — CID 71532102

About (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

(2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71532102) has the molecular formula C26H25F6N3O2 and a molecular weight of 525.49 g/mol. Its IUPAC name is (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
• PubChem CID: 71532102
• Molecular Formula: C26H25F6N3O2
• Molecular Weight: 525.49 g/mol
• Exact Mass: 525.19
• IUPAC Name: (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
• SMILES: CCOc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)n1
• InChI: InChI=1S/C26H25F6N3O2/c1-2-37-24-12-6-9-19(33-24)14-34-15-22(17-7-5-8-18(13-17)25(27,28)29)35(16-23(36)26(30,31)32)21-11-4-3-10-20(21)34/h3-13,22-23,36H,2,14-16H2,1H3/t22-,23+/m0/s1
• InChIKey: OBUIPDVRRGUZPL-XZOQPEGZSA-N
• XLogP: 5.99
• TPSA: 48.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.49
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

The IUPAC name of (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 71532102) is (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.

What is the SMILES notation for (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

The canonical SMILES for (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is CCOc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)N(C[C@@H](O)C(F)(F)F)c3ccccc32)n1.

What is the InChIKey of (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

The InChIKey is OBUIPDVRRGUZPL-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H25F6N3O2/c1-2-37-24-12-6-9-19(33-24)14-34-15-22(17-7-5-8-18(13-17)25(27,28)29)35(16-23(36)26(30,31)32)21-11-4-3-10-20(21)34/h3-13,22-23,36H,2,14-16H2,1H3/t22-,23+/m0/s1.

What are the key properties of (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?

(2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 525.49 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[(2R)-4-[(6-ethoxy-2-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71532102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).