8-fluoro-5-methoxyquinoline-4-carbaldehyde

C11H8FNO2 — CID 172633663

IUPAC8-fluoro-5-methoxyquinoline-4-carbaldehyde
SMILESCOc1ccc(F)c2nccc(C=O)c12
InChIInChI=1S/C11H8FNO2/c1-15-9-3-2-8(12)11-10(9)7(6-14)4-5-13-11/h2-6H,1H3
InChIKeyVCJXRVLODXCKSU-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.19
Rot. Bonds2

About 8-fluoro-5-methoxyquinoline-4-carbaldehyde

8-fluoro-5-methoxyquinoline-4-carbaldehyde (PubChem CID 172633663) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 8-fluoro-5-methoxyquinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-fluoro-5-methoxyquinoline-4-carbaldehyde
PubChem CID172633663
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name8-fluoro-5-methoxyquinoline-4-carbaldehyde
SMILESCOc1ccc(F)c2nccc(C=O)c12
InChIInChI=1S/C11H8FNO2/c1-15-9-3-2-8(12)11-10(9)7(6-14)4-5-13-11/h2-6H,1H3
InChIKeyVCJXRVLODXCKSU-UHFFFAOYSA-N
XLogP2.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoro-5-methoxyquinoline-4-carbaldehyde?
The IUPAC name of 8-fluoro-5-methoxyquinoline-4-carbaldehyde (CID 172633663) is 8-fluoro-5-methoxyquinoline-4-carbaldehyde.
What is the SMILES notation for 8-fluoro-5-methoxyquinoline-4-carbaldehyde?
The canonical SMILES for 8-fluoro-5-methoxyquinoline-4-carbaldehyde is COc1ccc(F)c2nccc(C=O)c12.
What is the InChIKey of 8-fluoro-5-methoxyquinoline-4-carbaldehyde?
The InChIKey is VCJXRVLODXCKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-15-9-3-2-8(12)11-10(9)7(6-14)4-5-13-11/h2-6H,1H3.
What are the key properties of 8-fluoro-5-methoxyquinoline-4-carbaldehyde?
8-fluoro-5-methoxyquinoline-4-carbaldehyde has a molecular weight of 205.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methoxyquinoline-4-carbaldehyde is sourced from PubChem (CID 172633663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).