N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide

C17H17N5O — CID 658861

IUPACN-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide
SMILESCCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
InChIKeyMLAJMOVXMPAZRC-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.21
Rot. Bonds4

About N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide

N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide (PubChem CID 658861) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide
PubChem CID658861
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide
SMILESCCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23)
InChIKeyMLAJMOVXMPAZRC-UHFFFAOYSA-N
XLogP3.21
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide?
The IUPAC name of N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide (CID 658861) is N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide is CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21.
What is the InChIKey of N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide?
The InChIKey is MLAJMOVXMPAZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-3-4-9-22-16(19-11(2)23)12(10-18)15-17(22)21-14-8-6-5-7-13(14)20-15/h5-8H,3-4,9H2,1-2H3,(H,19,23).
What are the key properties of N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide?
N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 658861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).