1-hydroxy-6,7-dimethylquinoxalin-2-one

C10H10N2O2 — CID 172773645

IUPAC1-hydroxy-6,7-dimethylquinoxalin-2-one
SMILESCc1cc2ncc(=O)n(O)c2cc1C
InChIInChI=1S/C10H10N2O2/c1-6-3-8-9(4-7(6)2)12(14)10(13)5-11-8/h3-5,14H,1-2H3
InChIKeyNHHDNOWSEBOTPT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.25
Rot. Bonds

About 1-hydroxy-6,7-dimethylquinoxalin-2-one

1-hydroxy-6,7-dimethylquinoxalin-2-one (PubChem CID 172773645) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-hydroxy-6,7-dimethylquinoxalin-2-one.

Molecular Properties

Compound Name1-hydroxy-6,7-dimethylquinoxalin-2-one
PubChem CID172773645
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-hydroxy-6,7-dimethylquinoxalin-2-one
SMILESCc1cc2ncc(=O)n(O)c2cc1C
InChIInChI=1S/C10H10N2O2/c1-6-3-8-9(4-7(6)2)12(14)10(13)5-11-8/h3-5,14H,1-2H3
InChIKeyNHHDNOWSEBOTPT-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6,7-dimethylquinoxalin-2-one?
The IUPAC name of 1-hydroxy-6,7-dimethylquinoxalin-2-one (CID 172773645) is 1-hydroxy-6,7-dimethylquinoxalin-2-one.
What is the SMILES notation for 1-hydroxy-6,7-dimethylquinoxalin-2-one?
The canonical SMILES for 1-hydroxy-6,7-dimethylquinoxalin-2-one is Cc1cc2ncc(=O)n(O)c2cc1C.
What is the InChIKey of 1-hydroxy-6,7-dimethylquinoxalin-2-one?
The InChIKey is NHHDNOWSEBOTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-8-9(4-7(6)2)12(14)10(13)5-11-8/h3-5,14H,1-2H3.
What are the key properties of 1-hydroxy-6,7-dimethylquinoxalin-2-one?
1-hydroxy-6,7-dimethylquinoxalin-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6,7-dimethylquinoxalin-2-one is sourced from PubChem (CID 172773645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).