2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide

C22H24N4O3 — CID 25386003

IUPAC2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CCC#N)cc1
InChIInChI=1S/C22H24N4O3/c1-2-14-29-17-10-8-16(9-11-17)24-21(27)15-20-22(28)25-18-6-3-4-7-19(18)26(20)13-5-12-23/h3-4,6-11,20H,2,5,13-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyDOFKJVSYAVRCQH-FQEVSTJZSA-N
MW392.46 g/mol
LogP3.54
Rot. Bonds8

About 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide

2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 25386003) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID25386003
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CCC#N)cc1
InChIInChI=1S/C22H24N4O3/c1-2-14-29-17-10-8-16(9-11-17)24-21(27)15-20-22(28)25-18-6-3-4-7-19(18)26(20)13-5-12-23/h3-4,6-11,20H,2,5,13-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyDOFKJVSYAVRCQH-FQEVSTJZSA-N
XLogP3.54
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
CID 17405826
2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651
2-[(2R)-3-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 2491092
N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23797425
2-[(2R)-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 41143525
N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 41141661
N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23764661
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(4-ethoxyphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 2951013
N-(4-ethoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1289143
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide (CID 25386003) is 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CCC#N)cc1.
What is the InChIKey of 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is DOFKJVSYAVRCQH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-14-29-17-10-8-16(9-11-17)24-21(27)15-20-22(28)25-18-6-3-4-7-19(18)26(20)13-5-12-23/h3-4,6-11,20H,2,5,13-15H2,1H3,(H,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide?
2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-cyanoethyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 25386003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).