cyclobuta[b]quinoxaline-1,2-diol

C10H6N2O2 — CID 135465965

IUPACcyclobuta[b]quinoxaline-1,2-diol
SMILESOC1=C(O)c2nc3ccccc3nc21
InChIInChI=1S/C10H6N2O2/c13-9-7-8(10(9)14)12-6-4-2-1-3-5(6)11-7/h1-4,13-14H
InChIKeyKQYCKLYTVAUTRI-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.88
Rot. Bonds

About cyclobuta[b]quinoxaline-1,2-diol

cyclobuta[b]quinoxaline-1,2-diol (PubChem CID 135465965) has the molecular formula C10H6N2O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is cyclobuta[b]quinoxaline-1,2-diol.

Molecular Properties

Compound Namecyclobuta[b]quinoxaline-1,2-diol
PubChem CID135465965
Molecular FormulaC10H6N2O2
Molecular Weight186.17 g/mol
Exact Mass186.04
IUPAC Namecyclobuta[b]quinoxaline-1,2-diol
SMILESOC1=C(O)c2nc3ccccc3nc21
InChIInChI=1S/C10H6N2O2/c13-9-7-8(10(9)14)12-6-4-2-1-3-5(6)11-7/h1-4,13-14H
InChIKeyKQYCKLYTVAUTRI-UHFFFAOYSA-N
XLogP1.88
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobuta[b]quinoxaline-1,2-diol?
The IUPAC name of cyclobuta[b]quinoxaline-1,2-diol (CID 135465965) is cyclobuta[b]quinoxaline-1,2-diol.
What is the SMILES notation for cyclobuta[b]quinoxaline-1,2-diol?
The canonical SMILES for cyclobuta[b]quinoxaline-1,2-diol is OC1=C(O)c2nc3ccccc3nc21.
What is the InChIKey of cyclobuta[b]quinoxaline-1,2-diol?
The InChIKey is KQYCKLYTVAUTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2/c13-9-7-8(10(9)14)12-6-4-2-1-3-5(6)11-7/h1-4,13-14H.
What are the key properties of cyclobuta[b]quinoxaline-1,2-diol?
cyclobuta[b]quinoxaline-1,2-diol has a molecular weight of 186.17 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobuta[b]quinoxaline-1,2-diol is sourced from PubChem (CID 135465965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).