prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H16N4O3 — CID 3786190

IUPACprop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCOC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H16N4O3/c1-2-10-27-20(26)16-17-19(23-15-9-4-3-8-14(15)22-17)24(18(16)21)12-6-5-7-13(25)11-12/h2-9,11,25H,1,10,21H2
InChIKeyWIFWKJYZLBGFFX-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.20
Rot. Bonds4

About prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3786190) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3786190
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Nameprop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCOC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12
InChIInChI=1S/C20H16N4O3/c1-2-10-27-20(26)16-17-19(23-15-9-4-3-8-14(15)22-17)24(18(16)21)12-6-5-7-13(25)11-12/h2-9,11,25H,1,10,21H2
InChIKeyWIFWKJYZLBGFFX-UHFFFAOYSA-N
XLogP3.20
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3798420
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442
2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3793532
butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4233482
octyl 2-amino-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3436221
[(2R)-butan-2-yl] 2-amino-1-(3-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40955162
ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444
[(2R)-oxolan-2-yl]methyl 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2013523
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2005816
ethyl 2-amino-1-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2318703
[(2R)-butan-2-yl] 2-amino-1-(3,4-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40517555

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3786190) is prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is C=CCOC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12.
What is the InChIKey of prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is WIFWKJYZLBGFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-2-10-27-20(26)16-17-19(23-15-9-4-3-8-14(15)22-17)24(18(16)21)12-6-5-7-13(25)11-12/h2-9,11,25H,1,10,21H2.
What are the key properties of prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3786190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).