methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate

C13H9BrN2O3 — CID 102575760

IUPACmethyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c3ccc(Br)cc3n2c1
InChIInChI=1S/C13H9BrN2O3/c1-19-13(18)7-4-11-12(17)15-9-3-2-8(14)5-10(9)16(11)6-7/h2-6H,1H3,(H,15,17)
InChIKeyGROCKBZYFWHWOH-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.33
Rot. Bonds1

About methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate

methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate (PubChem CID 102575760) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate
PubChem CID102575760
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Namemethyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate
SMILESCOC(=O)c1cc2c(=O)[nH]c3ccc(Br)cc3n2c1
InChIInChI=1S/C13H9BrN2O3/c1-19-13(18)7-4-11-12(17)15-9-3-2-8(14)5-10(9)16(11)6-7/h2-6H,1H3,(H,15,17)
InChIKeyGROCKBZYFWHWOH-UHFFFAOYSA-N
XLogP2.33
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylic acid
CID 82618520
methyl 3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114375490
methyl 4-oxo-1-pentyl-5H-imidazo[1,5-a]quinoxaline-8-carboxylate
CID 141205828
methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate
CID 164735105
methyl 4-[2-(5-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)acetyl]benzoate
CID 166039175
methyl 7-bromo-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 59340050
methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate
CID 54729564
methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate
CID 68757437
methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
CID 165172104
3-(3,6-dibromocarbazol-9-yl)-5-methoxycarbonylbenzoic acid
CID 141392763
methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
CID 50942143
methyl 5-bromo-6-oxo-1-phenylpyridine-3-carboxylate
CID 22318950

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate?
The IUPAC name of methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate (CID 102575760) is methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate.
What is the SMILES notation for methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate?
The canonical SMILES for methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate is COC(=O)c1cc2c(=O)[nH]c3ccc(Br)cc3n2c1.
What is the InChIKey of methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate?
The InChIKey is GROCKBZYFWHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c1-19-13(18)7-4-11-12(17)15-9-3-2-8(14)5-10(9)16(11)6-7/h2-6H,1H3,(H,15,17).
What are the key properties of methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate?
methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate has a molecular weight of 321.13 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 102575760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).