2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C17H12N6 — CID 853276

IUPAC2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2cccc(N)c2)c2nc3ccccc3nc12
InChIInChI=1S/C17H12N6/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)20)11-5-3-4-10(19)8-11/h1-8H,19-20H2
InChIKeyRYOHSBDSEVIMDR-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.61
Rot. Bonds1

About 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 853276) has the molecular formula C17H12N6 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID853276
Molecular FormulaC17H12N6
Molecular Weight300.33 g/mol
Exact Mass300.11
IUPAC Name2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2cccc(N)c2)c2nc3ccccc3nc12
InChIInChI=1S/C17H12N6/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)20)11-5-3-4-10(19)8-11/h1-8H,19-20H2
InChIKeyRYOHSBDSEVIMDR-UHFFFAOYSA-N
XLogP2.61
TPSA106.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 911015
2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 987559
1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 933055
2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 745688
2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 657501
2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 168731126
4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide
CID 2415621
N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromobenzamide
CID 2383933
2-amino-1-(2,3-dimethylcyclohexyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 3631874
1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 2310656
6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
CID 23989728
[(2R)-butan-2-yl] 2-amino-1-(3-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40955162

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 853276) is 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(-c2cccc(N)c2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is RYOHSBDSEVIMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6/c18-9-12-15-17(22-14-7-2-1-6-13(14)21-15)23(16(12)20)11-5-3-4-10(19)8-11/h1-8H,19-20H2.
What are the key properties of 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 300.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 853276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).