6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

C11H14N2O3 — CID 22619823

IUPAC6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOc1cc2c(cc1OC)NC(C)C(=O)N2
InChIInChI=1S/C11H14N2O3/c1-6-11(14)13-8-5-10(16-3)9(15-2)4-7(8)12-6/h4-6,12H,1-3H3,(H,13,14)
InChIKeyVQJWYJFQEBOUOX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.46
Rot. Bonds2

About 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 22619823) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID22619823
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOc1cc2c(cc1OC)NC(C)C(=O)N2
InChIInChI=1S/C11H14N2O3/c1-6-11(14)13-8-5-10(16-3)9(15-2)4-7(8)12-6/h4-6,12H,1-3H3,(H,13,14)
InChIKeyVQJWYJFQEBOUOX-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (CID 22619823) is 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is COc1cc2c(cc1OC)NC(C)C(=O)N2.
What is the InChIKey of 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is VQJWYJFQEBOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-11(14)13-8-5-10(16-3)9(15-2)4-7(8)12-6/h4-6,12H,1-3H3,(H,13,14).
What are the key properties of 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 22619823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).