4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol

C12H10N2O2 — CID 135480969

IUPAC4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol
SMILESCc1ccc2nc3c(nc2c1C)C(O)=C3O
InChIInChI=1S/C12H10N2O2/c1-5-3-4-7-8(6(5)2)14-10-9(13-7)11(15)12(10)16/h3-4,15-16H,1-2H3
InChIKeyPUCYQVUEWZOHOJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.50
Rot. Bonds

About 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol

4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol (PubChem CID 135480969) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol.

Molecular Properties

Compound Name4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol
PubChem CID135480969
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol
SMILESCc1ccc2nc3c(nc2c1C)C(O)=C3O
InChIInChI=1S/C12H10N2O2/c1-5-3-4-7-8(6(5)2)14-10-9(13-7)11(15)12(10)16/h3-4,15-16H,1-2H3
InChIKeyPUCYQVUEWZOHOJ-UHFFFAOYSA-N
XLogP2.50
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol?
The IUPAC name of 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol (CID 135480969) is 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol.
What is the SMILES notation for 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol?
The canonical SMILES for 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol is Cc1ccc2nc3c(nc2c1C)C(O)=C3O.
What is the InChIKey of 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol?
The InChIKey is PUCYQVUEWZOHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-5-3-4-7-8(6(5)2)14-10-9(13-7)11(15)12(10)16/h3-4,15-16H,1-2H3.
What are the key properties of 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol?
4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol has a molecular weight of 214.22 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclobuta[b]quinoxaline-1,2-diol is sourced from PubChem (CID 135480969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).