6-fluoro-6H-quinolin-4-one

C9H6FNO — CID 76538849

IUPAC6-fluoro-6H-quinolin-4-one
SMILESO=C1C=CN=C2C=CC(F)C=C12
InChIInChI=1S/C9H6FNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-6H
InChIKeyUKTTUHGWUKBDRQ-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.36
Rot. Bonds

About 6-fluoro-6H-quinolin-4-one

6-fluoro-6H-quinolin-4-one (PubChem CID 76538849) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 6-fluoro-6H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-6H-quinolin-4-one
PubChem CID76538849
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name6-fluoro-6H-quinolin-4-one
SMILESO=C1C=CN=C2C=CC(F)C=C12
InChIInChI=1S/C9H6FNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-6H
InChIKeyUKTTUHGWUKBDRQ-UHFFFAOYSA-N
XLogP1.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-quinolin-8-one
CID 18187031
4aH-quinolin-4-one
CID 45074595
Cyclohepta[b]pyridin-4-one
CID 91267558
Benz[e]indol-4-one
CID 129675893
6-fluoro-2-methyl-6H-quinolin-4-one
CID 71303956
6-fluoro-7-methyl-4aH-quinolin-4-one
CID 71303961
7-Fluoro-8-methylidenequinolin-4-one
CID 71304041
8-fluoro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304096
8-fluoro-7-methyl-8H-quinolin-4-one
CID 71304097
8-fluoro-6-(trifluoromethyl)-6H-quinolin-4-one
CID 71650473
2-methyl-6-(trifluoromethyl)-6H-quinolin-4-one
CID 73358285
2-(chloromethyl)-6-fluoro-6H-quinolin-4-one
CID 73403340

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6H-quinolin-4-one?
The IUPAC name of 6-fluoro-6H-quinolin-4-one (CID 76538849) is 6-fluoro-6H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-6H-quinolin-4-one?
The canonical SMILES for 6-fluoro-6H-quinolin-4-one is O=C1C=CN=C2C=CC(F)C=C12.
What is the InChIKey of 6-fluoro-6H-quinolin-4-one?
The InChIKey is UKTTUHGWUKBDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-6H.
What are the key properties of 6-fluoro-6H-quinolin-4-one?
6-fluoro-6H-quinolin-4-one has a molecular weight of 163.15 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6H-quinolin-4-one is sourced from PubChem (CID 76538849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).