3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one

C10H11N3O2 — CID 18526145

IUPAC3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2nc(NO)c(=O)[nH]c2cc1C
InChIInChI=1S/C10H11N3O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(11-7)13-15/h3-4,15H,1-2H3,(H,11,13)(H,12,14)
InChIKeySOKZJPKJRSYNSB-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.34
Rot. Bonds1

About 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one

3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one (PubChem CID 18526145) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
PubChem CID18526145
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2nc(NO)c(=O)[nH]c2cc1C
InChIInChI=1S/C10H11N3O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(11-7)13-15/h3-4,15H,1-2H3,(H,11,13)(H,12,14)
InChIKeySOKZJPKJRSYNSB-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one (CID 18526145) is 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one is Cc1cc2nc(NO)c(=O)[nH]c2cc1C.
What is the InChIKey of 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one?
The InChIKey is SOKZJPKJRSYNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(11-7)13-15/h3-4,15H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one?
3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one has a molecular weight of 205.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 18526145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).