4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol

C16H14N2O2 — CID 2050

IUPAC4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol
SMILESCc1cc2ncc(-c3ccc(O)c(O)c3)nc2cc1C
InChIInChI=1S/C16H14N2O2/c1-9-5-12-13(6-10(9)2)18-14(8-17-12)11-3-4-15(19)16(20)7-11/h3-8,19-20H,1-2H3
InChIKeySMKFYHOKXJUJOT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.32
Rot. Bonds1

About 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol

4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol (PubChem CID 2050) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol
PubChem CID2050
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol
SMILESCc1cc2ncc(-c3ccc(O)c(O)c3)nc2cc1C
InChIInChI=1S/C16H14N2O2/c1-9-5-12-13(6-10(9)2)18-14(8-17-12)11-3-4-15(19)16(20)7-11/h3-8,19-20H,1-2H3
InChIKeySMKFYHOKXJUJOT-UHFFFAOYSA-N
XLogP3.32
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol?
The IUPAC name of 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol (CID 2050) is 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol?
The canonical SMILES for 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol is Cc1cc2ncc(-c3ccc(O)c(O)c3)nc2cc1C.
What is the InChIKey of 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol?
The InChIKey is SMKFYHOKXJUJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-5-12-13(6-10(9)2)18-14(8-17-12)11-3-4-15(19)16(20)7-11/h3-8,19-20H,1-2H3.
What are the key properties of 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol?
4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol has a molecular weight of 266.30 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethylquinoxalin-2-yl)benzene-1,2-diol is sourced from PubChem (CID 2050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).