4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide

C24H26N4O3 — CID 16582380

IUPAC4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C24H26N4O3/c1-17(29)18-10-12-19(13-11-18)31-16-6-9-22(30)27-23-24(28-14-4-5-15-28)26-21-8-3-2-7-20(21)25-23/h2-3,7-8,10-13H,4-6,9,14-16H2,1H3,(H,25,27,30)
InChIKeyPWTLQMQSNAECHE-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.23
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide

4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide (PubChem CID 16582380) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
PubChem CID16582380
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C24H26N4O3/c1-17(29)18-10-12-19(13-11-18)31-16-6-9-22(30)27-23-24(28-14-4-5-15-28)26-21-8-3-2-7-20(21)25-23/h2-3,7-8,10-13H,4-6,9,14-16H2,1H3,(H,25,27,30)
InChIKeyPWTLQMQSNAECHE-UHFFFAOYSA-N
XLogP4.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.23
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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Related Compounds

4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 46691974
4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
CID 26070713
4-(4-acetylphenoxy)-N-[3-(dimethylamino)-2-pyridinyl]butanamide
CID 86792150
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24599946
3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24590248
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16602917
4-(4-acetylphenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38530939
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24599956
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide (CID 16582380) is 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
The InChIKey is PWTLQMQSNAECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17(29)18-10-12-19(13-11-18)31-16-6-9-22(30)27-23-24(28-14-4-5-15-28)26-21-8-3-2-7-20(21)25-23/h2-3,7-8,10-13H,4-6,9,14-16H2,1H3,(H,25,27,30).
What are the key properties of 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide has a molecular weight of 418.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide is sourced from PubChem (CID 16582380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).