5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol

C12H10N2O2 — CID 135812200

IUPAC5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol
SMILESCc1cc(C)c2nc3c(nc2c1)C(O)=C3O
InChIInChI=1S/C12H10N2O2/c1-5-3-6(2)8-7(4-5)13-9-10(14-8)12(16)11(9)15/h3-4,15-16H,1-2H3
InChIKeyBRHZPBWRHNGUHM-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.50
Rot. Bonds

About 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol

5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol (PubChem CID 135812200) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol.

Molecular Properties

Compound Name5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol
PubChem CID135812200
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol
SMILESCc1cc(C)c2nc3c(nc2c1)C(O)=C3O
InChIInChI=1S/C12H10N2O2/c1-5-3-6(2)8-7(4-5)13-9-10(14-8)12(16)11(9)15/h3-4,15-16H,1-2H3
InChIKeyBRHZPBWRHNGUHM-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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Related Compounds

5,6-Dimethyl-1,2,3,8-tetrahydrocyclobuta[b]quinoxaline-1,2-dione
CID 135480967
4,5-Dimethyl-3,8-dihydrocyclobuta[b]quinoxaline-1,2-dione
CID 135480969
5-Fluoro-1,2,3,8-tetrahydrocyclobuta[b]quinoxaline-1,2-dione
CID 135502848
Cyclobuta[b]quinoxaline-1,2-diol
CID 135465965
5-(Trifluoromethyl)-3,8-dihydrocyclobuta[b]quinoxaline-1,2-dione
CID 135441833
4-Methylcyclobuta[b]quinoxaline-1,2-diol
CID 135466756
3,8-Dihydro-5-methylcyclobuta[b]quinoxaline-1,2-dione
CID 135480968
2,3,5,7-Tetramethylquinoxaline
CID 241498
7-Amino-5-(trifluoromethyl)cyclobuta[b]quinoxaline-1,2-diol
CID 147426679
2-(3-Methylquinoxalin-2-yl)propan-2-ol
CID 12460299
(2,3,8-Trimethylquinoxalin-6-yl)methanol
CID 21098099
2-(3-Amino-6-methylquinolin-2-yl)propan-2-ol
CID 68334473

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol?
The IUPAC name of 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol (CID 135812200) is 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol.
What is the SMILES notation for 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol?
The canonical SMILES for 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol is Cc1cc(C)c2nc3c(nc2c1)C(O)=C3O.
What is the InChIKey of 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol?
The InChIKey is BRHZPBWRHNGUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-5-3-6(2)8-7(4-5)13-9-10(14-8)12(16)11(9)15/h3-4,15-16H,1-2H3.
What are the key properties of 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol?
5,7-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 5,7-dimethylcyclobuta[b]quinoxaline-1,2-diol is sourced from PubChem (CID 135812200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).