[5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone

C23H20F6N4O — CID 143823715

About [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone

[5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 143823715) has the molecular formula C23H20F6N4O and a molecular weight of 482.43 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 143823715
• Molecular Formula: C23H20F6N4O
• Molecular Weight: 482.43 g/mol
• Exact Mass: 482.15
• IUPAC Name: [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(C(F)(F)F)c(C(=O)N2CCC(CNc3cnc4ccc(C(F)(F)F)cc4n3)C2)c1
• InChI: InChI=1S/C23H20F6N4O/c1-13-2-4-17(23(27,28)29)16(8-13)21(34)33-7-6-14(12-33)10-31-20-11-30-18-5-3-15(22(24,25)26)9-19(18)32-20/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,31,32)
• InChIKey: LNKODKCNRDGQPD-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone (CID 143823715) is [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone is Cc1ccc(C(F)(F)F)c(C(=O)N2CCC(CNc3cnc4ccc(C(F)(F)F)cc4n3)C2)c1.

What is the InChIKey of [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is LNKODKCNRDGQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N4O/c1-13-2-4-17(23(27,28)29)16(8-13)21(34)33-7-6-14(12-33)10-31-20-11-30-18-5-3-15(22(24,25)26)9-19(18)32-20/h2-5,8-9,11,14H,6-7,10,12H2,1H3,(H,31,32).

What are the key properties of [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone?

[5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 482.43 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-2-(trifluoromethyl)phenyl]-[3-[[[7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143823715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).