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

C23H23N3O4 — CID 22522541

IUPACN-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)c1
InChIInChI=1S/C23H23N3O4/c1-3-29-16-11-12-21(30-4-2)17(14-16)24-22(27)15-26-19-9-6-5-8-18(19)25-13-7-10-20(25)23(26)28/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyZLGYQXFRLMVYTK-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.69
Rot. Bonds7

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

N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (PubChem CID 22522541) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
PubChem CID22522541
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)c1
InChIInChI=1S/C23H23N3O4/c1-3-29-16-11-12-21(30-4-2)17(14-16)24-22(27)15-26-19-9-6-5-8-18(19)25-13-7-10-20(25)23(26)28/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyZLGYQXFRLMVYTK-UHFFFAOYSA-N
XLogP3.69
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522546
N-(3-methoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 6624010
N-(2-chloro-4-methylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522523
N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522524
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565235
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (CID 22522541) is N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is CCOc1ccc(OCC)c(NC(=O)Cn2c(=O)c3cccn3c3ccccc32)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The InChIKey is ZLGYQXFRLMVYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-29-16-11-12-21(30-4-2)17(14-16)24-22(27)15-26-19-9-6-5-8-18(19)25-13-7-10-20(25)23(26)28/h5-14H,3-4,15H2,1-2H3,(H,24,27).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 22522541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).