3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium

C16H20N5O2+ — CID 7062690

IUPAC3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
SMILESCCOC(=O)c1c(N)n(CCC[NH3+])c2nc3ccccc3nc12
InChIInChI=1S/C16H19N5O2/c1-2-23-16(22)12-13-15(21(14(12)18)9-5-8-17)20-11-7-4-3-6-10(11)19-13/h3-4,6-7H,2,5,8-9,17-18H2,1H3/p+1
InChIKeyMHESETXWULKGIH-UHFFFAOYSA-O
MW314.37 g/mol
LogP0.98
Rot. Bonds5

About 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium

3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium (PubChem CID 7062690) has the molecular formula C16H20N5O2+ and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium.

Molecular Properties

Compound Name3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
PubChem CID7062690
Molecular FormulaC16H20N5O2+
Molecular Weight314.37 g/mol
Exact Mass314.16
IUPAC Name3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
SMILESCCOC(=O)c1c(N)n(CCC[NH3+])c2nc3ccccc3nc12
InChIInChI=1S/C16H19N5O2/c1-2-23-16(22)12-13-15(21(14(12)18)9-5-8-17)20-11-7-4-3-6-10(11)19-13/h3-4,6-7H,2,5,8-9,17-18H2,1H3/p+1
InChIKeyMHESETXWULKGIH-UHFFFAOYSA-O
XLogP0.98
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

octyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3798847
pentyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2384054
hexyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3721919
heptyl 2-amino-1-butylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4294624
ethyl 2-amino-1-[3-(furan-2-carbonyloxy)propyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 660107
ethyl 2-amino-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7358559
butyl 2-amino-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2295570
ethyl 2-amino-1-(2-imidazo[1,2-a]pyridin-3-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 21007785
methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 937953
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
[(2S)-butan-2-yl] 2-amino-1-propylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 943166

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium?
The IUPAC name of 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium (CID 7062690) is 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium.
What is the SMILES notation for 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium?
The canonical SMILES for 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium is CCOC(=O)c1c(N)n(CCC[NH3+])c2nc3ccccc3nc12.
What is the InChIKey of 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium?
The InChIKey is MHESETXWULKGIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N5O2/c1-2-23-16(22)12-13-15(21(14(12)18)9-5-8-17)20-11-7-4-3-6-10(11)19-13/h3-4,6-7H,2,5,8-9,17-18H2,1H3/p+1.
What are the key properties of 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium?
3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium has a molecular weight of 314.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium is sourced from PubChem (CID 7062690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).