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

C23H23N5O2 — CID 659428

IUPAC2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide
SMILESN#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H23N5O2/c24-16-18(23(29)25-11-10-17-6-2-1-3-7-17)21-22(28-12-14-30-15-13-28)27-20-9-5-4-8-19(20)26-21/h1-9,18H,10-15H2,(H,25,29)
InChIKeyLURXONOAEQVTAK-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.43
Rot. Bonds6

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

2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 659428) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID659428
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide
SMILESN#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H23N5O2/c24-16-18(23(29)25-11-10-17-6-2-1-3-7-17)21-22(28-12-14-30-15-13-28)27-20-9-5-4-8-19(20)26-21/h1-9,18H,10-15H2,(H,25,29)
InChIKeyLURXONOAEQVTAK-UHFFFAOYSA-N
XLogP2.43
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 11624425
2-amino-1-(2-morpholinoethyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659097
2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(3-methoxypropyl)acetamide
CID 659480
2-cyano-N-cyclohexyl-2-(3-(4-(4-fluorophenyl)piperazin-1-yl)quinoxalin-2-yl)acetamide
CID 659512
2-cyano-N-hexyl-2-[3-(morpholin-4-yl)quinoxalin-2-yl]acetamide
CID 659515
2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-(3-methoxypropyl)acetamide
CID 659633
Ethyl 4-(3-(1-cyano-2-oxo-2-(phenethylamino)ethyl)quinoxalin-2-yl)piperazine-1-carboxylate
CID 659673
Methyl 1-(3-(1-cyano-2-oxo-2-(phenethylamino)ethyl)quinoxalin-2-yl)piperidine-4-carboxylate
CID 659743
2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-prop-2-enylacetamide
CID 659806
2-cyano-N-pentyl-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetamide
CID 659807
1-[3-[1-Cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester
CID 660313
2-Cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
CID 660374

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide (CID 659428) is 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide is N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LURXONOAEQVTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-16-18(23(29)25-11-10-17-6-2-1-3-7-17)21-22(28-12-14-30-15-13-28)27-20-9-5-4-8-19(20)26-21/h1-9,18H,10-15H2,(H,25,29).
What are the key properties of 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(3-morpholin-4-ylquinoxalin-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 659428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).