ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H20N4O3 — CID 23732155

IUPACethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCn1c(NC(=O)CC)c(C(=O)OCC)c2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O3/c1-4-11-23-17(22-14(24)5-2)15(19(25)26-6-3)16-18(23)21-13-10-8-7-9-12(13)20-16/h4,7-10H,1,5-6,11H2,2-3H3,(H,22,24)
InChIKeyGYDAMUDMVDCYJI-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.30
Rot. Bonds6

About ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 23732155) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID23732155
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCn1c(NC(=O)CC)c(C(=O)OCC)c2nc3ccccc3nc21
InChIInChI=1S/C19H20N4O3/c1-4-11-23-17(22-14(24)5-2)15(19(25)26-6-3)16-18(23)21-13-10-8-7-9-12(13)20-16/h4,7-10H,1,5-6,11H2,2-3H3,(H,22,24)
InChIKeyGYDAMUDMVDCYJI-UHFFFAOYSA-N
XLogP3.30
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1341359
methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 705178
ethyl 2-[(4-chlorobenzoyl)amino]-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4829790
[(2R)-butan-2-yl] 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 944403
ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2327443
2-amino-N-phenyl-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 659479
N-[3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl]acetamide
CID 23847246
ethyl 1-benzyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3726757
ethyl 2-[(3-bromobenzoyl)amino]-1-[(2S)-2-ethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2384137
3-(2-amino-3-ethoxycarbonylpyrrolo[3,2-b]quinoxalin-1-yl)propylazanium
CID 7062690
ethyl 2-amino-1-(2-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987507
ethyl 4-(propanoylamino)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 2328724

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 23732155) is ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate is C=CCn1c(NC(=O)CC)c(C(=O)OCC)c2nc3ccccc3nc21.
What is the InChIKey of ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is GYDAMUDMVDCYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-11-23-17(22-14(24)5-2)15(19(25)26-6-3)16-18(23)21-13-10-8-7-9-12(13)20-16/h4,7-10H,1,5-6,11H2,2-3H3,(H,22,24).
What are the key properties of ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 23732155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).