6-methoxy-3,4-dihydro-1H-quinoxalin-2-one

C9H10N2O2 — CID 79001962

IUPAC6-methoxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOc1ccc2c(c1)NCC(=O)N2
InChIInChI=1S/C9H10N2O2/c1-13-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyQAYBMYCNIBSZJH-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.06
Rot. Bonds1

About 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one

6-methoxy-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79001962) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79001962
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-methoxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESCOc1ccc2c(c1)NCC(=O)N2
InChIInChI=1S/C9H10N2O2/c1-13-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyQAYBMYCNIBSZJH-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one (CID 79001962) is 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one is COc1ccc2c(c1)NCC(=O)N2.
What is the InChIKey of 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is QAYBMYCNIBSZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-6-2-3-7-8(4-6)10-5-9(12)11-7/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one?
6-methoxy-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79001962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).