N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide

C20H15BrN6O — CID 2383933

IUPACN-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide
SMILESN#Cc1c(N)n(CCNC(=O)c2cccc(Br)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H15BrN6O/c21-13-5-3-4-12(10-13)20(28)24-8-9-27-18(23)14(11-22)17-19(27)26-16-7-2-1-6-15(16)25-17/h1-7,10H,8-9,23H2,(H,24,28)
InChIKeyZCDNDXXENYVTHH-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.23
Rot. Bonds4

About N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide

N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide (PubChem CID 2383933) has the molecular formula C20H15BrN6O and a molecular weight of 435.29 g/mol. Its IUPAC name is N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide
PubChem CID2383933
Molecular FormulaC20H15BrN6O
Molecular Weight435.29 g/mol
Exact Mass434.05
IUPAC NameN-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide
SMILESN#Cc1c(N)n(CCNC(=O)c2cccc(Br)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H15BrN6O/c21-13-5-3-4-12(10-13)20(28)24-8-9-27-18(23)14(11-22)17-19(27)26-16-7-2-1-6-15(16)25-17/h1-7,10H,8-9,23H2,(H,24,28)
InChIKeyZCDNDXXENYVTHH-UHFFFAOYSA-N
XLogP3.23
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-bromobenzamide
CID 1399376
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 112832627
N-(3-cyano-1-pentylpyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide
CID 2377801
2-amino-N,1-bis(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2015264
N-(1-benzyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide
CID 4963098
1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 933055
N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chloro-3-nitrobenzenesulfonamide
CID 4146673
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4203658
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23761862
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide?
The IUPAC name of N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide (CID 2383933) is N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide is N#Cc1c(N)n(CCNC(=O)c2cccc(Br)c2)c2nc3ccccc3nc12.
What is the InChIKey of N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide?
The InChIKey is ZCDNDXXENYVTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN6O/c21-13-5-3-4-12(10-13)20(28)24-8-9-27-18(23)14(11-22)17-19(27)26-16-7-2-1-6-15(16)25-17/h1-7,10H,8-9,23H2,(H,24,28).
What are the key properties of N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide?
N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide has a molecular weight of 435.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide is sourced from PubChem (CID 2383933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).