[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde

C10H6N2O3 — CID 142031110

IUPAC[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde
SMILESO=Cc1cnc2ccc3c(c2n1)OCO3
InChIInChI=1S/C10H6N2O3/c13-4-6-3-11-7-1-2-8-10(9(7)12-6)15-5-14-8/h1-4H,5H2
InChIKeyVGDGIHLOTUMQMH-UHFFFAOYSA-N
MW202.17 g/mol
LogP1.17
Rot. Bonds1

About [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde

[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde (PubChem CID 142031110) has the molecular formula C10H6N2O3 and a molecular weight of 202.17 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde
PubChem CID142031110
Molecular FormulaC10H6N2O3
Molecular Weight202.17 g/mol
Exact Mass202.04
IUPAC Name[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde
SMILESO=Cc1cnc2ccc3c(c2n1)OCO3
InChIInChI=1S/C10H6N2O3/c13-4-6-3-11-7-1-2-8-10(9(7)12-6)15-5-14-8/h1-4H,5H2
InChIKeyVGDGIHLOTUMQMH-UHFFFAOYSA-N
XLogP1.17
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-bromoquinoxaline-2-carbaldehyde
CID 131849321
[1,3]dioxolo[4,5-g][1,3]benzothiazole
CID 139691081
pyrido[3,4-b]pyrazine-2-carbaldehyde
CID 151212996
5-bromo-1,3-benzodioxole-4-carbaldehyde
CID 11031640
7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
CID 134174901
[1,3]dioxolo[4,5-c]quinoline
CID 45117306
2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde
CID 53407581
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
ethane;6-methyl-[1,3]dioxolo[4,5-h]quinazoline
CID 163275362
benzo[g][1,3]benzodioxole-5-carbaldehyde
CID 12524007
2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 87868996
[1,3]dioxolo[4,5-i][3]benzazepin-9-one;hydrochloride
CID 172754515

Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde?
The IUPAC name of [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde (CID 142031110) is [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde.
What is the SMILES notation for [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde?
The canonical SMILES for [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde is O=Cc1cnc2ccc3c(c2n1)OCO3.
What is the InChIKey of [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde?
The InChIKey is VGDGIHLOTUMQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3/c13-4-6-3-11-7-1-2-8-10(9(7)12-6)15-5-14-8/h1-4H,5H2.
What are the key properties of [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde?
[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde has a molecular weight of 202.17 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde is sourced from PubChem (CID 142031110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).