2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C21H20IN5O — CID 40589200

IUPAC2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(I)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H20IN5O/c1-3-12(2)24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)14-10-8-13(22)9-11-14/h4-12H,3,23H2,1-2H3,(H,24,28)/t12-/m1/s1
InChIKeyIJLKEBPPTYNJOD-GFCCVEGCSA-N
MW485.33 g/mol
LogP4.29
Rot. Bonds4

About 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 40589200) has the molecular formula C21H20IN5O and a molecular weight of 485.33 g/mol. Its IUPAC name is 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID40589200
Molecular FormulaC21H20IN5O
Molecular Weight485.33 g/mol
Exact Mass485.07
IUPAC Name2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(I)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H20IN5O/c1-3-12(2)24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)14-10-8-13(22)9-11-14/h4-12H,3,23H2,1-2H3,(H,24,28)/t12-/m1/s1
InChIKeyIJLKEBPPTYNJOD-GFCCVEGCSA-N
XLogP4.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide 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

2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3386844
2-amino-N-butan-2-yl-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3742039
2-amino-1-(4-butan-2-ylphenyl)-N-propylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 16957072
2-amino-1-(3-chloro-4-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40838288
2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2025838
2-amino-1-(3-chlorophenyl)-N-(6-methylheptan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3914627
2-amino-1-(3-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2011188
2-amino-N-butan-2-yl-1-[(2-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 4210112
2-amino-1-(1,3-benzodioxol-5-yl)-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2002761
2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide
CID 2322043
[(2S)-butan-2-yl] 2-amino-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2009033
[(2S)-butan-2-yl] 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852223

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 40589200) is 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(I)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is IJLKEBPPTYNJOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20IN5O/c1-3-12(2)24-21(28)17-18-20(26-16-7-5-4-6-15(16)25-18)27(19(17)23)14-10-8-13(22)9-11-14/h4-12H,3,23H2,1-2H3,(H,24,28)/t12-/m1/s1.
What are the key properties of 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 485.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 40589200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).