2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide

C14H19N5O — CID 102985844

IUPAC2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc2ccccc2nc1N
InChIInChI=1S/C14H19N5O/c1-3-8-16-12(20)9-19(2)14-13(15)17-10-6-4-5-7-11(10)18-14/h4-7H,3,8-9H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyFAULQKXAUOOSPJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds5

About 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide

2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide (PubChem CID 102985844) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
PubChem CID102985844
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc2ccccc2nc1N
InChIInChI=1S/C14H19N5O/c1-3-8-16-12(20)9-19(2)14-13(15)17-10-6-4-5-7-11(10)18-14/h4-7H,3,8-9H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeyFAULQKXAUOOSPJ-UHFFFAOYSA-N
XLogP1.17
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
2-(2-amino-N-methylanilino)-N-propylacetamide
CID 61453152
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808785
3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine
CID 102987357
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80986192
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 61452449
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
CID 79873585
2-[(6-amino-2-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 79242742
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide (CID 102985844) is 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc2ccccc2nc1N.
What is the InChIKey of 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide?
The InChIKey is FAULQKXAUOOSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-8-16-12(20)9-19(2)14-13(15)17-10-6-4-5-7-11(10)18-14/h4-7H,3,8-9H2,1-2H3,(H2,15,17)(H,16,20).
What are the key properties of 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide?
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 102985844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).