8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde

C16H10F2N2O3 — CID 88947868

IUPAC8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde
SMILESCOc1cc(O)c(F)c(-c2ccc(C=O)c3nccnc23)c1F
InChIInChI=1S/C16H10F2N2O3/c1-23-11-6-10(22)13(17)12(14(11)18)9-3-2-8(7-21)15-16(9)20-5-4-19-15/h2-7,22H,1H3
InChIKeyGTKQETVEBOIVPR-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.10
Rot. Bonds3

About 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde

8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde (PubChem CID 88947868) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde.

Molecular Properties

Compound Name8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde
PubChem CID88947868
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC Name8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde
SMILESCOc1cc(O)c(F)c(-c2ccc(C=O)c3nccnc23)c1F
InChIInChI=1S/C16H10F2N2O3/c1-23-11-6-10(22)13(17)12(14(11)18)9-3-2-8(7-21)15-16(9)20-5-4-19-15/h2-7,22H,1H3
InChIKeyGTKQETVEBOIVPR-UHFFFAOYSA-N
XLogP3.10
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde?
The IUPAC name of 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde (CID 88947868) is 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde.
What is the SMILES notation for 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde?
The canonical SMILES for 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde is COc1cc(O)c(F)c(-c2ccc(C=O)c3nccnc23)c1F.
What is the InChIKey of 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde?
The InChIKey is GTKQETVEBOIVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c1-23-11-6-10(22)13(17)12(14(11)18)9-3-2-8(7-21)15-16(9)20-5-4-19-15/h2-7,22H,1H3.
What are the key properties of 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde?
8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde has a molecular weight of 316.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde is sourced from PubChem (CID 88947868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).