methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate

C12H9N3O2 — CID 137147104

IUPACmethyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate
SMILESCOC(=O)c1cc2[nH]ccnc2c2nccc12
InChIInChI=1S/C12H9N3O2/c1-17-12(16)8-6-9-11(15-5-4-13-9)10-7(8)2-3-14-10/h2-6,13H,1H3
InChIKeyRUIQUKCFRANGEG-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.90
Rot. Bonds1

About methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate

methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate (PubChem CID 137147104) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate
PubChem CID137147104
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Namemethyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate
SMILESCOC(=O)c1cc2[nH]ccnc2c2nccc12
InChIInChI=1S/C12H9N3O2/c1-17-12(16)8-6-9-11(15-5-4-13-9)10-7(8)2-3-14-10/h2-6,13H,1H3
InChIKeyRUIQUKCFRANGEG-UHFFFAOYSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-hydroxy-1H-indole-4-carboxylate
CID 76846746
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
CID 162342553
methyl 4-(1H-indol-5-yloxy)-7-methoxyquinoline-6-carboxylate
CID 22936605
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
methyl 4-amino-1H-benzimidazole-5-carboxylate
CID 131010029
methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
CID 50942143
methyl 6-fluoro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
CID 135396956
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860

Frequently Asked Questions

What is the IUPAC name of methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate?
The IUPAC name of methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate (CID 137147104) is methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate is COC(=O)c1cc2[nH]ccnc2c2nccc12.
What is the InChIKey of methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate?
The InChIKey is RUIQUKCFRANGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-17-12(16)8-6-9-11(15-5-4-13-9)10-7(8)2-3-14-10/h2-6,13H,1H3.
What are the key properties of methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate?
methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate has a molecular weight of 227.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-pyrrolo[2,3-f]quinoxaline-6-carboxylate is sourced from PubChem (CID 137147104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).