1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one

C23H23F3N4O4 — CID 92865157

About 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one

1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one (PubChem CID 92865157) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

• Compound Name: 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
• PubChem CID: 92865157
• Molecular Formula: C23H23F3N4O4
• Molecular Weight: 476.46 g/mol
• Exact Mass: 476.17
• IUPAC Name: 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
• SMILES: Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c2cc1C
• InChI: InChI=1S/C23H23F3N4O4/c1-13-11-16-17(12-14(13)2)30(22(33)19(27-16)23(24,25)26)15(3)20(31)28-6-8-29(9-7-28)21(32)18-5-4-10-34-18/h4-5,10-12,15H,6-9H2,1-3H3/t15-/m0/s1
• InChIKey: OYLGDIRBRCFFLN-HNNXBMFYSA-N
• XLogP: 3.17
• TPSA: 88.65 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.46
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?

The IUPAC name of 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one (CID 92865157) is 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one.

What is the SMILES notation for 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?

The canonical SMILES for 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one is Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c2cc1C.

What is the InChIKey of 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?

The InChIKey is OYLGDIRBRCFFLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-13-11-16-17(12-14(13)2)30(22(33)19(27-16)23(24,25)26)15(3)20(31)28-6-8-29(9-7-28)21(32)18-5-4-10-34-18/h4-5,10-12,15H,6-9H2,1-3H3/t15-/m0/s1.

What are the key properties of 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?

1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 476.46 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 92865157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).