methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate

C12H11BrN2O4 — CID 133060908

IUPACmethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2cc(OC)c(OC)cc2nc1Br
InChIInChI=1S/C12H11BrN2O4/c1-17-8-4-6-7(5-9(8)18-2)15-11(13)10(14-6)12(16)19-3/h4-5H,1-3H3
InChIKeyTXZOWHCSSQLVNB-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.20
Rot. Bonds3

About methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate

methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate (PubChem CID 133060908) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
PubChem CID133060908
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Namemethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2cc(OC)c(OC)cc2nc1Br
InChIInChI=1S/C12H11BrN2O4/c1-17-8-4-6-7(5-9(8)18-2)15-11(13)10(14-6)12(16)19-3/h4-5H,1-3H3
InChIKeyTXZOWHCSSQLVNB-UHFFFAOYSA-N
XLogP2.20
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060108
3-bromo-6,7-dimethoxyquinoxalin-2-amine
CID 133060724
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
4,6,7-trimethoxyquinoline-2,3-dicarboxylic acid
CID 19021402
methyl 6-bromo-5-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 168977230
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
methyl 2-methylbenzo[g]quinoxaline-3-carboxylate
CID 15545499

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
The IUPAC name of methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate (CID 133060908) is methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate.
What is the SMILES notation for methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
The canonical SMILES for methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate is COC(=O)c1nc2cc(OC)c(OC)cc2nc1Br.
What is the InChIKey of methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
The InChIKey is TXZOWHCSSQLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c1-17-8-4-6-7(5-9(8)18-2)15-11(13)10(14-6)12(16)19-3/h4-5H,1-3H3.
What are the key properties of methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate has a molecular weight of 327.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate is sourced from PubChem (CID 133060908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).