[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone

C23H19F3N4O2 — CID 67090606

About [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 67090606) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

• Compound Name: [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
• PubChem CID: 67090606
• Molecular Formula: C23H19F3N4O2
• Molecular Weight: 440.43 g/mol
• Exact Mass: 440.15
• IUPAC Name: [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
• SMILES: O=C(c1cc2cc(F)ccc2o1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
• InChI: InChI=1S/C23H19F3N4O2/c24-14-4-5-20-13(7-14)8-21(32-20)23(31)30-6-2-1-3-15(30)11-28-22-12-27-18-9-16(25)17(26)10-19(18)29-22/h4-5,7-10,12,15H,1-3,6,11H2,(H,28,29)
• InChIKey: GXVLODFCIFWRIS-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.43
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone?

The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone (CID 67090606) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone.

What is the SMILES notation for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone?

The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(F)ccc2o1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1.

What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone?

The InChIKey is GXVLODFCIFWRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-14-4-5-20-13(7-14)8-21(32-20)23(31)30-6-2-1-3-15(30)11-28-22-12-27-18-9-16(25)17(26)10-19(18)29-22/h4-5,7-10,12,15H,1-3,6,11H2,(H,28,29).

What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone?

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 440.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 67090606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).