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

C21H27N5O2 — CID 659515

IUPAC2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide
SMILESCCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C21H27N5O2/c1-2-3-4-7-10-23-21(27)16(15-22)19-20(26-11-13-28-14-12-26)25-18-9-6-5-8-17(18)24-19/h5-6,8-9,16H,2-4,7,10-14H2,1H3,(H,23,27)
InChIKeyIUTVDIBUWNAFGS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.77
Rot. Bonds8

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

2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide (PubChem CID 659515) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide
PubChem CID659515
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide
SMILESCCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C21H27N5O2/c1-2-3-4-7-10-23-21(27)16(15-22)19-20(26-11-13-28-14-12-26)25-18-9-6-5-8-17(18)24-19/h5-6,8-9,16H,2-4,7,10-14H2,1H3,(H,23,27)
InChIKeyIUTVDIBUWNAFGS-UHFFFAOYSA-N
XLogP2.77
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
The IUPAC name of 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide (CID 659515) is 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide is CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
The InChIKey is IUTVDIBUWNAFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-3-4-7-10-23-21(27)16(15-22)19-20(26-11-13-28-14-12-26)25-18-9-6-5-8-17(18)24-19/h5-6,8-9,16H,2-4,7,10-14H2,1H3,(H,23,27).
What are the key properties of 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide?
2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-hexyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 659515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).