6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde

C17H11F2NO2 — CID 177169670

IUPAC6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde
SMILESO=Cc1cc(OCc2ccc(F)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C17H11F2NO2/c18-12-3-1-11(2-4-12)10-22-17-8-14(9-21)20-16-6-5-13(19)7-15(16)17/h1-9H,10H2
InChIKeyNUHJKLDSSYTYQO-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.90
Rot. Bonds4

About 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde

6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde (PubChem CID 177169670) has the molecular formula C17H11F2NO2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde
PubChem CID177169670
Molecular FormulaC17H11F2NO2
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde
SMILESO=Cc1cc(OCc2ccc(F)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C17H11F2NO2/c18-12-3-1-11(2-4-12)10-22-17-8-14(9-21)20-16-6-5-13(19)7-15(16)17/h1-9H,10H2
InChIKeyNUHJKLDSSYTYQO-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.90
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 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde?
The IUPAC name of 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde (CID 177169670) is 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde.
What is the SMILES notation for 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde?
The canonical SMILES for 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde is O=Cc1cc(OCc2ccc(F)cc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde?
The InChIKey is NUHJKLDSSYTYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO2/c18-12-3-1-11(2-4-12)10-22-17-8-14(9-21)20-16-6-5-13(19)7-15(16)17/h1-9H,10H2.
What are the key properties of 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde?
6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde has a molecular weight of 299.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[(4-fluorophenyl)methoxy]quinoline-2-carbaldehyde is sourced from PubChem (CID 177169670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).