8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde

C16H11FN2O3 — CID 88947870

IUPAC8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde
SMILESCOc1cc(O)cc(-c2ccc(C=O)c3nccnc23)c1F
InChIInChI=1S/C16H11FN2O3/c1-22-13-7-10(21)6-12(14(13)17)11-3-2-9(8-20)15-16(11)19-5-4-18-15/h2-8,21H,1H3
InChIKeyXLXXUKXWTCFHCO-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.96
Rot. Bonds3

About 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde

8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde (PubChem CID 88947870) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde.

Molecular Properties

Compound Name8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde
PubChem CID88947870
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde
SMILESCOc1cc(O)cc(-c2ccc(C=O)c3nccnc23)c1F
InChIInChI=1S/C16H11FN2O3/c1-22-13-7-10(21)6-12(14(13)17)11-3-2-9(8-20)15-16(11)19-5-4-18-15/h2-8,21H,1H3
InChIKeyXLXXUKXWTCFHCO-UHFFFAOYSA-N
XLogP2.96
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(2,6-difluoro-3-hydroxy-5-methoxyphenyl)quinoxaline-5-carbaldehyde
CID 88947868
8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile
CID 59292917
8-fluoro-5-methoxyquinoline-4-carbaldehyde
CID 172633663
4-methoxyquinoline-8-carbaldehyde
CID 171397329
4-(2-fluoro-3-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220432
2-fluoro-4-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
CID 114270433
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
5-chloro-2-(3-fluoro-2-methoxy-4-pyridinyl)benzaldehyde
CID 114270434
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
CID 172868912

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde?
The IUPAC name of 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde (CID 88947870) is 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde.
What is the SMILES notation for 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde?
The canonical SMILES for 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde is COc1cc(O)cc(-c2ccc(C=O)c3nccnc23)c1F.
What is the InChIKey of 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde?
The InChIKey is XLXXUKXWTCFHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c1-22-13-7-10(21)6-12(14(13)17)11-3-2-9(8-20)15-16(11)19-5-4-18-15/h2-8,21H,1H3.
What are the key properties of 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde?
8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde has a molecular weight of 298.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-5-hydroxy-3-methoxyphenyl)quinoxaline-5-carbaldehyde is sourced from PubChem (CID 88947870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).