ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate

C13H10N2O4 — CID 135479169

IUPACethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc2nc3c(nc2c1)C(O)=C3O
InChIInChI=1S/C13H10N2O4/c1-2-19-13(18)6-3-4-7-8(5-6)15-10-9(14-7)11(16)12(10)17/h3-5,16-17H,2H2,1H3
InChIKeyOJYMOWHVFRKKJS-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.06
Rot. Bonds2

About ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate

ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate (PubChem CID 135479169) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
PubChem CID135479169
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Nameethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc2nc3c(nc2c1)C(O)=C3O
InChIInChI=1S/C13H10N2O4/c1-2-19-13(18)6-3-4-7-8(5-6)15-10-9(14-7)11(16)12(10)17/h3-5,16-17H,2H2,1H3
InChIKeyOJYMOWHVFRKKJS-UHFFFAOYSA-N
XLogP2.06
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 9-bromo-6-hydroxy-7-methylphenazine-2-carboxylate
CID 161070409
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 2-chloroquinoline-7-carboxylate
CID 72942632
diethyl benzene-1,3-dicarboxylate
CID 12491
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058
ethyl 2-bromo-1,3-benzoxazole-5-carboxylate
CID 131612632
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
CID 24799637

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate?
The IUPAC name of ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate (CID 135479169) is ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate?
The canonical SMILES for ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate is CCOC(=O)c1ccc2nc3c(nc2c1)C(O)=C3O.
What is the InChIKey of ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate?
The InChIKey is OJYMOWHVFRKKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-2-19-13(18)6-3-4-7-8(5-6)15-10-9(14-7)11(16)12(10)17/h3-5,16-17H,2H2,1H3.
What are the key properties of ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate?
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate has a molecular weight of 258.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate is sourced from PubChem (CID 135479169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).