5-methoxy-4aH-quinoxalin-2-one

C9H8N2O2 — CID 76851494

IUPAC5-methoxy-4aH-quinoxalin-2-one
SMILESCOC1=CC=CC2=NC(=O)C=NC12
InChIInChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-9(7)10-5-8(12)11-6/h2-5,9H,1H3
InChIKeySWPCVRLNVWMQNK-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.51
Rot. Bonds1

About 5-methoxy-4aH-quinoxalin-2-one

5-methoxy-4aH-quinoxalin-2-one (PubChem CID 76851494) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methoxy-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name5-methoxy-4aH-quinoxalin-2-one
PubChem CID76851494
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-methoxy-4aH-quinoxalin-2-one
SMILESCOC1=CC=CC2=NC(=O)C=NC12
InChIInChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-9(7)10-5-8(12)11-6/h2-5,9H,1H3
InChIKeySWPCVRLNVWMQNK-UHFFFAOYSA-N
XLogP0.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4aH-quinoxalin-2-one
CID 73182737
7-methoxy-4aH-1,5-naphthyridin-2-one
CID 76619276
7-methoxy-4aH-quinoxalin-2-one
CID 76851615
7-methoxy-3-methyl-4aH-quinoxalin-2-one
CID 76851616

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4aH-quinoxalin-2-one?
The IUPAC name of 5-methoxy-4aH-quinoxalin-2-one (CID 76851494) is 5-methoxy-4aH-quinoxalin-2-one.
What is the SMILES notation for 5-methoxy-4aH-quinoxalin-2-one?
The canonical SMILES for 5-methoxy-4aH-quinoxalin-2-one is COC1=CC=CC2=NC(=O)C=NC12.
What is the InChIKey of 5-methoxy-4aH-quinoxalin-2-one?
The InChIKey is SWPCVRLNVWMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-9(7)10-5-8(12)11-6/h2-5,9H,1H3.
What are the key properties of 5-methoxy-4aH-quinoxalin-2-one?
5-methoxy-4aH-quinoxalin-2-one has a molecular weight of 176.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4aH-quinoxalin-2-one is sourced from PubChem (CID 76851494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).