2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

C22H23N5O2 — CID 24590254

IUPAC2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(28)23-17-10-8-16(9-11-17)14-20(29)26-21-22(27-12-4-5-13-27)25-19-7-3-2-6-18(19)24-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28)(H,24,26,29)
InChIKeyUCUGMGKRTOONKN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.37
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide

2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (PubChem CID 24590254) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
PubChem CID24590254
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C22H23N5O2/c1-15(28)23-17-10-8-16(9-11-17)14-20(29)26-21-22(27-12-4-5-13-27)25-19-7-3-2-6-18(19)24-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28)(H,24,26,29)
InChIKeyUCUGMGKRTOONKN-UHFFFAOYSA-N
XLogP3.37
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
CID 30709253
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24599956
2-(oxan-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 126766134
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55623134
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16582380
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24590248
(2S)-1-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]propan-2-ol
CID 99582304
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide (CID 24590254) is 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is CC(=O)Nc1ccc(CC(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
The InChIKey is UCUGMGKRTOONKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(28)23-17-10-8-16(9-11-17)14-20(29)26-21-22(27-12-4-5-13-27)25-19-7-3-2-6-18(19)24-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,23,28)(H,24,26,29).
What are the key properties of 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide?
2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 24590254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).