[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone

C23H19F3N4O2 — CID 10274974

IUPAC[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2o1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H19F3N4O2/c24-15-5-3-6-20-14(15)8-21(32-20)23(31)30-7-2-1-4-13(30)11-28-22-12-27-18-9-16(25)17(26)10-19(18)29-22/h3,5-6,8-10,12-13H,1-2,4,7,11H2,(H,28,29)
InChIKeyAVACKQZLTWNSBQ-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.90
Rot. Bonds4

About [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone

[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 10274974) 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]-(4-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone
PubChem CID10274974
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2o1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H19F3N4O2/c24-15-5-3-6-20-14(15)8-21(32-20)23(31)30-7-2-1-4-13(30)11-28-22-12-27-18-9-16(25)17(26)10-19(18)29-22/h3,5-6,8-10,12-13H,1-2,4,7,11H2,(H,28,29)
InChIKeyAVACKQZLTWNSBQ-UHFFFAOYSA-N
XLogP4.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone (CID 10274974) is [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2c(F)cccc2o1)N1CCCCC1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is AVACKQZLTWNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-15-5-3-6-20-14(15)8-21(32-20)23(31)30-7-2-1-4-13(30)11-28-22-12-27-18-9-16(25)17(26)10-19(18)29-22/h3,5-6,8-10,12-13H,1-2,4,7,11H2,(H,28,29).
What are the key properties of [2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-fluoro-1-benzofuran-2-yl)methanone?
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(4-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]-(4-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 10274974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).