N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide

C21H19N3O2 — CID 22522524

IUPACN-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1C
InChIInChI=1S/C21H19N3O2/c1-14-9-10-16(12-15(14)2)22-20(25)13-24-18-7-4-3-6-17(18)23-11-5-8-19(23)21(24)26/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyRPKQZRKLCCFNPC-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.51
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide

N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (PubChem CID 22522524) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
PubChem CID22522524
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1C
InChIInChI=1S/C21H19N3O2/c1-14-9-10-16(12-15(14)2)22-20(25)13-24-18-7-4-3-6-17(18)23-11-5-8-19(23)21(24)26/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyRPKQZRKLCCFNPC-UHFFFAOYSA-N
XLogP3.51
TPSA55.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 22424827
N-(3-methoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 6624010
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
N-(2-chloro-4-methylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522523
2-(3-methyl-2-oxoquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 110680370
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522541
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
N-(2,5-dimethylphenyl)-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522619
N-(3,4-dimethylphenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
CID 53014423
N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
CID 17035867
N-(3,4-dimethylphenyl)-2-(2,3-dioxo-4-phenylpyrazin-1-yl)acetamide
CID 7183401

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (CID 22522524) is N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The InChIKey is RPKQZRKLCCFNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-9-10-16(12-15(14)2)22-20(25)13-24-18-7-4-3-6-17(18)23-11-5-8-19(23)21(24)26/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 22522524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).