2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

C17H12N6 — CID 911015

IUPAC2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(N)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C17H12N6/c18-9-12-15-17(22-14-4-2-1-3-13(14)21-15)23(16(12)20)11-7-5-10(19)6-8-11/h1-8H,19-20H2
InChIKeyUPPPLIFDTZWWPA-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.61
Rot. Bonds1

About 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 911015) has the molecular formula C17H12N6 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID911015
Molecular FormulaC17H12N6
Molecular Weight300.33 g/mol
Exact Mass300.11
IUPAC Name2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(N)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C17H12N6/c18-9-12-15-17(22-14-4-2-1-3-13(14)21-15)23(16(12)20)11-7-5-10(19)6-8-11/h1-8H,19-20H2
InChIKeyUPPPLIFDTZWWPA-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 911015) is 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(-c2ccc(N)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is UPPPLIFDTZWWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6/c18-9-12-15-17(22-14-4-2-1-3-13(14)21-15)23(16(12)20)11-7-5-10(19)6-8-11/h1-8H,19-20H2.
What are the key properties of 2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(4-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-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 911015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).