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

C18H20N6O — CID 658332

IUPAC2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C18H20N6O/c19-12-13-16-18(22-15-5-2-1-4-14(15)21-16)24(17(13)20)7-3-6-23-8-10-25-11-9-23/h1-2,4-5H,3,6-11,20H2
InChIKeyFOYROMPKTPHPBS-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.76
Rot. Bonds4

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

2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 658332) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID658332
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C18H20N6O/c19-12-13-16-18(22-15-5-2-1-4-14(15)21-16)24(17(13)20)7-3-6-23-8-10-25-11-9-23/h1-2,4-5H,3,6-11,20H2
InChIKeyFOYROMPKTPHPBS-UHFFFAOYSA-N
XLogP1.76
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 658332) is 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is FOYROMPKTPHPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-12-13-16-18(22-15-5-2-1-4-14(15)21-16)24(17(13)20)7-3-6-23-8-10-25-11-9-23/h1-2,4-5H,3,6-11,20H2.
What are the key properties of 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 658332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).