N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

C23H23N3O2 — CID 22522619

IUPACN-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCc1ccc(C)c(NC(=O)CCCn2c(=O)c3cccn3c3ccccc32)c1
InChIInChI=1S/C23H23N3O2/c1-16-11-12-17(2)18(15-16)24-22(27)10-6-14-26-20-8-4-3-7-19(20)25-13-5-9-21(25)23(26)28/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3,(H,24,27)
InChIKeyJVZDWPHFEXLKQW-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.29
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide

N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (PubChem CID 22522619) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
PubChem CID22522619
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
SMILESCc1ccc(C)c(NC(=O)CCCn2c(=O)c3cccn3c3ccccc32)c1
InChIInChI=1S/C23H23N3O2/c1-16-11-12-17(2)18(15-16)24-22(27)10-6-14-26-20-8-4-3-7-19(20)25-13-5-9-21(25)23(26)28/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3,(H,24,27)
InChIKeyJVZDWPHFEXLKQW-UHFFFAOYSA-N
XLogP4.29
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272798
N-(2-chloro-4-methylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522523
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522524
N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522604
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552820
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
5-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(3-methylbutyl)pentanamide
CID 50763049
N-(4-ethoxyphenyl)-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46272806
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(4-ethoxyphenyl)butanamide
CID 46272917
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
N-[(2R)-butan-2-yl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 92872070

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide (CID 22522619) is N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is Cc1ccc(C)c(NC(=O)CCCn2c(=O)c3cccn3c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
The InChIKey is JVZDWPHFEXLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-11-12-17(2)18(15-16)24-22(27)10-6-14-26-20-8-4-3-7-19(20)25-13-5-9-21(25)23(26)28/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3,(H,24,27).
What are the key properties of N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide?
N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide has a molecular weight of 373.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide is sourced from PubChem (CID 22522619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).