8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile

C22H23F3N6O2 — CID 156694864

IUPAC8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
SMILESN#Cc1ccc(N2C[C@H](CN3CCC4(CC3)CC(=O)N4)O[C@H](C(F)(F)F)C2)c2nccnc12
InChIInChI=1S/C22H23F3N6O2/c23-22(24,25)17-13-31(16-2-1-14(10-26)19-20(16)28-6-5-27-19)12-15(33-17)11-30-7-3-21(4-8-30)9-18(32)29-21/h1-2,5-6,15,17H,3-4,7-9,11-13H2,(H,29,32)/t15-,17-/m0/s1
InChIKeyGNVIDTZKHCOWOU-RDJZCZTQSA-N
MW460.46 g/mol
LogP1.99
Rot. Bonds3

About 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile

8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 156694864) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
PubChem CID156694864
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile
SMILESN#Cc1ccc(N2C[C@H](CN3CCC4(CC3)CC(=O)N4)O[C@H](C(F)(F)F)C2)c2nccnc12
InChIInChI=1S/C22H23F3N6O2/c23-22(24,25)17-13-31(16-2-1-14(10-26)19-20(16)28-6-5-27-19)12-15(33-17)11-30-7-3-21(4-8-30)9-18(32)29-21/h1-2,5-6,15,17H,3-4,7-9,11-13H2,(H,29,32)/t15-,17-/m0/s1
InChIKeyGNVIDTZKHCOWOU-RDJZCZTQSA-N
XLogP1.99
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile (CID 156694864) is 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile is N#Cc1ccc(N2C[C@H](CN3CCC4(CC3)CC(=O)N4)O[C@H](C(F)(F)F)C2)c2nccnc12.
What is the InChIKey of 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
The InChIKey is GNVIDTZKHCOWOU-RDJZCZTQSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c23-22(24,25)17-13-31(16-2-1-14(10-26)19-20(16)28-6-5-27-19)12-15(33-17)11-30-7-3-21(4-8-30)9-18(32)29-21/h1-2,5-6,15,17H,3-4,7-9,11-13H2,(H,29,32)/t15-,17-/m0/s1.
What are the key properties of 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile?
8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 460.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,6S)-2-[(2-oxo-1,7-diazaspiro[3.5]nonan-7-yl)methyl]-6-(trifluoromethyl)morpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 156694864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).