2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide

C21H25N5O2 — CID 659482

IUPAC2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide
SMILESN#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C21H25N5O2/c22-14-16(21(27)23-15-6-2-1-3-7-15)19-20(26-10-12-28-13-11-26)25-18-9-5-4-8-17(18)24-19/h4-5,8-9,15-16H,1-3,6-7,10-13H2,(H,23,27)
InChIKeyDJLMDONYFCRZDH-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.52
Rot. Bonds4

About 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide

2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide (PubChem CID 659482) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide
PubChem CID659482
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide
SMILESN#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C21H25N5O2/c22-14-16(21(27)23-15-6-2-1-3-7-15)19-20(26-10-12-28-13-11-26)25-18-9-5-4-8-17(18)24-19/h4-5,8-9,15-16H,1-3,6-7,10-13H2,(H,23,27)
InChIKeyDJLMDONYFCRZDH-UHFFFAOYSA-N
XLogP2.52
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
The IUPAC name of 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide (CID 659482) is 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide is N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
The InChIKey is DJLMDONYFCRZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-14-16(21(27)23-15-6-2-1-3-7-15)19-20(26-10-12-28-13-11-26)25-18-9-5-4-8-17(18)24-19/h4-5,8-9,15-16H,1-3,6-7,10-13H2,(H,23,27).
What are the key properties of 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 659482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).