methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C15H14N4O2 — CID 705178

IUPACmethyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCn1c(N)c(C(=O)OC)c2nc3ccccc3nc21
InChIInChI=1S/C15H14N4O2/c1-3-8-19-13(16)11(15(20)21-2)12-14(19)18-10-7-5-4-6-9(10)17-12/h3-7H,1,8,16H2,2H3
InChIKeyHPQMWSNUQAUBAK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate

methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 705178) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID705178
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namemethyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESC=CCn1c(N)c(C(=O)OC)c2nc3ccccc3nc21
InChIInChI=1S/C15H14N4O2/c1-3-8-19-13(16)11(15(20)21-2)12-14(19)18-10-7-5-4-6-9(10)17-12/h3-7H,1,8,16H2,2H3
InChIKeyHPQMWSNUQAUBAK-UHFFFAOYSA-N
XLogP2.14
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 705178) is methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate is C=CCn1c(N)c(C(=O)OC)c2nc3ccccc3nc21.
What is the InChIKey of methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is HPQMWSNUQAUBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-3-8-19-13(16)11(15(20)21-2)12-14(19)18-10-7-5-4-6-9(10)17-12/h3-7H,1,8,16H2,2H3.
What are the key properties of methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).