6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde

C10H8FNO2 — CID 87765692

IUPAC6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=Cc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C10H8FNO2/c11-8-3-6-1-2-10(14)12-9(6)4-7(8)5-13/h3-5H,1-2H2,(H,12,14)
InChIKeyJIOQLSLAMGNCLK-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.52
Rot. Bonds1

About 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde

6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde (PubChem CID 87765692) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
PubChem CID87765692
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde
SMILESO=Cc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C10H8FNO2/c11-8-3-6-1-2-10(14)12-9(6)4-7(8)5-13/h3-5H,1-2H2,(H,12,14)
InChIKeyJIOQLSLAMGNCLK-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The IUPAC name of 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde (CID 87765692) is 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The canonical SMILES for 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde is O=Cc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
The InChIKey is JIOQLSLAMGNCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-8-3-6-1-2-10(14)12-9(6)4-7(8)5-13/h3-5H,1-2H2,(H,12,14).
What are the key properties of 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde?
6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde has a molecular weight of 193.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-7-carbaldehyde is sourced from PubChem (CID 87765692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).