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

C25H27N3O4 — CID 22522546

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1OCC
InChIInChI=1S/C25H27N3O4/c1-3-31-22-12-11-18(16-23(22)32-4-2)13-14-26-24(29)17-28-20-9-6-5-8-19(20)27-15-7-10-21(27)25(28)30/h5-12,15-16H,3-4,13-14,17H2,1-2H3,(H,26,29)
InChIKeyJCPQSWWUDVGLJP-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.41
Rot. Bonds9

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (PubChem CID 22522546) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
PubChem CID22522546
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1OCC
InChIInChI=1S/C25H27N3O4/c1-3-31-22-12-11-18(16-23(22)32-4-2)13-14-26-24(29)17-28-20-9-6-5-8-19(20)27-15-7-10-21(27)25(28)30/h5-12,15-16H,3-4,13-14,17H2,1-2H3,(H,26,29)
InChIKeyJCPQSWWUDVGLJP-UHFFFAOYSA-N
XLogP3.41
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 46274023
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592921
N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
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2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(2-phenylethyl)acetamide
CID 22522681
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3585140
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N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061119
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 9306106
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide (CID 22522546) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is CCOc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
The InChIKey is JCPQSWWUDVGLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-31-22-12-11-18(16-23(22)32-4-2)13-14-26-24(29)17-28-20-9-6-5-8-19(20)27-15-7-10-21(27)25(28)30/h5-12,15-16H,3-4,13-14,17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 22522546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).