ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C21H20N4O3 — CID 987444

IUPACethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O3/c1-3-27-14-11-9-13(10-12-14)25-19(22)17(21(26)28-4-2)18-20(25)24-16-8-6-5-7-15(16)23-18/h5-12H,3-4,22H2,1-2H3
InChIKeyQKWZBKHWRZAOLL-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.73
Rot. Bonds5

About ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 987444) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID987444
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Nameethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O3/c1-3-27-14-11-9-13(10-12-14)25-19(22)17(21(26)28-4-2)18-20(25)24-16-8-6-5-7-15(16)23-18/h5-12H,3-4,22H2,1-2H3
InChIKeyQKWZBKHWRZAOLL-UHFFFAOYSA-N
XLogP3.73
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021301
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2005816
ethyl 2-amino-1-[4-(tetrazol-1-yl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 21007755
ethyl 2-[[2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2376454
2-amino-1-(4-ethoxyphenyl)-N-heptylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3560794
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
[(2S)-butan-2-yl] 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852223
[(2S)-butan-2-yl] 2-amino-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2009033
[(2R)-butan-2-yl] 2-amino-1-(4-bromophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852222
1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 4971076

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 987444) is ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is QKWZBKHWRZAOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-27-14-11-9-13(10-12-14)25-19(22)17(21(26)28-4-2)18-20(25)24-16-8-6-5-7-15(16)23-18/h5-12H,3-4,22H2,1-2H3.
What are the key properties of ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 987444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).