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

C17H11N5O — CID 699547

IUPAC2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C17H11N5O/c18-9-12-15-17(21-14-4-2-1-3-13(14)20-15)22(16(12)19)10-5-7-11(23)8-6-10/h1-8,23H,19H2
InChIKeyFGSGJLCDBXHHTF-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.73
Rot. Bonds1

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

2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 699547) has the molecular formula C17H11N5O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID699547
Molecular FormulaC17H11N5O
Molecular Weight301.31 g/mol
Exact Mass301.10
IUPAC Name2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C17H11N5O/c18-9-12-15-17(21-14-4-2-1-3-13(14)20-15)22(16(12)19)10-5-7-11(23)8-6-10/h1-8,23H,19H2
InChIKeyFGSGJLCDBXHHTF-UHFFFAOYSA-N
XLogP2.73
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 699547) is 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(-c2ccc(O)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is FGSGJLCDBXHHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O/c18-9-12-15-17(21-14-4-2-1-3-13(14)20-15)22(16(12)19)10-5-7-11(23)8-6-10/h1-8,23H,19H2.
What are the key properties of 2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(4-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of 2.73, 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-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 699547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).