3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

C22H23F3N6O2 — CID 165124329

IUPAC3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCN1CCOC(CNC(=O)C23CN(c4ccc(C#N)c5nccnc45)CC2(C(F)(F)F)C3)C1
InChIInChI=1S/C22H23F3N6O2/c1-30-6-7-33-15(10-30)9-29-19(32)20-11-21(20,22(23,24)25)13-31(12-20)16-3-2-14(8-26)17-18(16)28-5-4-27-17/h2-5,15H,6-7,9-13H2,1H3,(H,29,32)
InChIKeyVVCPJAUZWBHASI-UHFFFAOYSA-N
MW460.46 g/mol
LogP1.71
Rot. Bonds4

About 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 165124329) has the molecular formula C22H23F3N6O2 and a molecular weight of 460.46 g/mol. Its IUPAC name is 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID165124329
Molecular FormulaC22H23F3N6O2
Molecular Weight460.46 g/mol
Exact Mass460.18
IUPAC Name3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCN1CCOC(CNC(=O)C23CN(c4ccc(C#N)c5nccnc45)CC2(C(F)(F)F)C3)C1
InChIInChI=1S/C22H23F3N6O2/c1-30-6-7-33-15(10-30)9-29-19(32)20-11-21(20,22(23,24)25)13-31(12-20)16-3-2-14(8-26)17-18(16)28-5-4-27-17/h2-5,15H,6-7,9-13H2,1H3,(H,29,32)
InChIKeyVVCPJAUZWBHASI-UHFFFAOYSA-N
XLogP1.71
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 165124329) is 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is CN1CCOC(CNC(=O)C23CN(c4ccc(C#N)c5nccnc45)CC2(C(F)(F)F)C3)C1.
What is the InChIKey of 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is VVCPJAUZWBHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2/c1-30-6-7-33-15(10-30)9-29-19(32)20-11-21(20,22(23,24)25)13-31(12-20)16-3-2-14(8-26)17-18(16)28-5-4-27-17/h2-5,15H,6-7,9-13H2,1H3,(H,29,32).
What are the key properties of 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-cyanoquinoxalin-5-yl)-N-[(4-methylmorpholin-2-yl)methyl]-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 165124329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).