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

C13H13BrN2O4 — CID 133060108

IUPACethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(OC)c(OC)cc2nc1Br
InChIInChI=1S/C13H13BrN2O4/c1-4-20-13(17)11-12(14)16-8-6-10(19-3)9(18-2)5-7(8)15-11/h5-6H,4H2,1-3H3
InChIKeyYPNHFADXKVIGBU-UHFFFAOYSA-N
MW341.16 g/mol
LogP2.59
Rot. Bonds4

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

ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate (PubChem CID 133060108) has the molecular formula C13H13BrN2O4 and a molecular weight of 341.16 g/mol. Its IUPAC name is ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
PubChem CID133060108
Molecular FormulaC13H13BrN2O4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Nameethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(OC)c(OC)cc2nc1Br
InChIInChI=1S/C13H13BrN2O4/c1-4-20-13(17)11-12(14)16-8-6-10(19-3)9(18-2)5-7(8)15-11/h5-6H,4H2,1-3H3
InChIKeyYPNHFADXKVIGBU-UHFFFAOYSA-N
XLogP2.59
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060908
ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate
CID 67083777
3-bromo-6,7-dimethoxyquinoxalin-2-amine
CID 133060724
ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886332
ethyl 2-bromo-4-methoxypyridine-3-carboxylate
CID 90167118
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
ethyl 3-[(2,5-dimethoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886311
ethyl 6-bromo-3-ethylquinoline-2-carboxylate
CID 11551308
ethyl 3-[2-(3-ethoxycarbonyl-6,7-difluoroquinoxalin-2-yl)ethyl]-6,7-difluoroquinoxaline-2-carboxylate
CID 171981740
ethyl 4-bromo-7-methoxyquinoline-6-carboxylate
CID 122705966
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate (CID 133060108) is ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(OC)c(OC)cc2nc1Br.
What is the InChIKey of ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
The InChIKey is YPNHFADXKVIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4/c1-4-20-13(17)11-12(14)16-8-6-10(19-3)9(18-2)5-7(8)15-11/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate?
ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate has a molecular weight of 341.16 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate is sourced from PubChem (CID 133060108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).