6,7-dimethoxy-4aH-quinoxalin-2-one

C10H10N2O3 — CID 167312428

IUPAC6,7-dimethoxy-4aH-quinoxalin-2-one
SMILESCOC1=CC2=NC(=O)C=NC2C=C1OC
InChIInChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)12-10(13)5-11-6/h3-6H,1-2H3
InChIKeyQMLKSBJLGUZJNX-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.48
Rot. Bonds2

About 6,7-dimethoxy-4aH-quinoxalin-2-one

6,7-dimethoxy-4aH-quinoxalin-2-one (PubChem CID 167312428) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6,7-dimethoxy-4aH-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4aH-quinoxalin-2-one
PubChem CID167312428
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6,7-dimethoxy-4aH-quinoxalin-2-one
SMILESCOC1=CC2=NC(=O)C=NC2C=C1OC
InChIInChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)12-10(13)5-11-6/h3-6H,1-2H3
InChIKeyQMLKSBJLGUZJNX-UHFFFAOYSA-N
XLogP0.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-2,3-quinoxalinedione
CID 21189996
2(1H)-Quinoxalinone, 6-methoxy-
CID 72206608
6-methoxy-4aH-quinoxalin-2-one
CID 73182737
6,7-Dimethoxyquinoxaline-2,3-dione;hydrate
CID 75192750
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 6,7-dimethoxy-4aH-quinoxalin-2-one?
The IUPAC name of 6,7-dimethoxy-4aH-quinoxalin-2-one (CID 167312428) is 6,7-dimethoxy-4aH-quinoxalin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4aH-quinoxalin-2-one?
The canonical SMILES for 6,7-dimethoxy-4aH-quinoxalin-2-one is COC1=CC2=NC(=O)C=NC2C=C1OC.
What is the InChIKey of 6,7-dimethoxy-4aH-quinoxalin-2-one?
The InChIKey is QMLKSBJLGUZJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)12-10(13)5-11-6/h3-6H,1-2H3.
What are the key properties of 6,7-dimethoxy-4aH-quinoxalin-2-one?
6,7-dimethoxy-4aH-quinoxalin-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4aH-quinoxalin-2-one is sourced from PubChem (CID 167312428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).