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

C23H19F3N4O2 — CID 67090314

IUPAC[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccc(F)cc2o1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H19F3N4O2/c24-14-5-4-13-7-21(32-20(13)8-14)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)/t15-/m0/s1
InChIKeyCBFZYFYGXLNINS-HNNXBMFYSA-N
MW440.43 g/mol
LogP4.90
Rot. Bonds4

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

[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 67090314) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone
PubChem CID67090314
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccc(F)cc2o1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H19F3N4O2/c24-14-5-4-13-7-21(32-20(13)8-14)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)/t15-/m0/s1
InChIKeyCBFZYFYGXLNINS-HNNXBMFYSA-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

Analyze [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

N-(1,6-naphthyridin-2-yl)-7-[2-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 162763857
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 748350
(E)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)acrylamide
CID 24891660
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzofuran-2-carboxamide
CID 46886504
4-[5-(1-benzofuran-2-carbonylamino)-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917419
N-(2-fluorophenyl)-4-[5-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917491
4-[5-[[3-(fluoromethyl)-1-benzofuran-2-carbonyl]amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917492
N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917631
4-[5-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 52917633
N-(2-fluorophenyl)-4-[5-[(3,6,7-trimethyl-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917634

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone (CID 67090314) is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2ccc(F)cc2o1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is CBFZYFYGXLNINS-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-14-5-4-13-7-21(32-20(13)8-14)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)/t15-/m0/s1.
What are the key properties of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone?
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-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 [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(6-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 67090314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).