2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide

C21H29N5O — CID 3295411

IUPAC2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N(CC)CC
InChIInChI=1S/C21H29N5O/c1-4-7-8-11-14-23-21(27)16(15-22)19-20(26(5-2)6-3)25-18-13-10-9-12-17(18)24-19/h9-10,12-13,16H,4-8,11,14H2,1-3H3,(H,23,27)
InChIKeyWJBOQQZSUGHHEO-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.78
Rot. Bonds10

About 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide

2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide (PubChem CID 3295411) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide.

Molecular Properties

Compound Name2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide
PubChem CID3295411
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide
SMILESCCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N(CC)CC
InChIInChI=1S/C21H29N5O/c1-4-7-8-11-14-23-21(27)16(15-22)19-20(26(5-2)6-3)25-18-13-10-9-12-17(18)24-19/h9-10,12-13,16H,4-8,11,14H2,1-3H3,(H,23,27)
InChIKeyWJBOQQZSUGHHEO-UHFFFAOYSA-N
XLogP3.78
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-N-butyl-2-cyanoacetamide
CID 3820060
(2S)-2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(2-methoxyethyl)acetamide
CID 7377425
(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide
CID 7463029
2-cyano-N-hexyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 2999890
N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 3606790
(2S)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-hexylacetamide
CID 40808095
ethyl 2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyanoacetate
CID 23959481
N-butyl-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetamide
CID 3847897
ethyl 2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate
CID 21007818
(2R)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 41031489
(2R)-N-butyl-2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 41030750
pentyl (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
CID 7463399

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide?
The IUPAC name of 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide (CID 3295411) is 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide.
What is the SMILES notation for 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide?
The canonical SMILES for 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide is CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N(CC)CC.
What is the InChIKey of 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide?
The InChIKey is WJBOQQZSUGHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-7-8-11-14-23-21(27)16(15-22)19-20(26(5-2)6-3)25-18-13-10-9-12-17(18)24-19/h9-10,12-13,16H,4-8,11,14H2,1-3H3,(H,23,27).
What are the key properties of 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide?
2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide has a molecular weight of 367.50 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide is sourced from PubChem (CID 3295411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).