8-fluoro-1H-quinolin-4-one

C9H6FNO — CID 2737334

IUPAC8-fluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(F)cccc12
InChIInChI=1S/C9H6FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
InChIKeyHTELWJVKZKSAQI-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.67
Rot. Bonds

About 8-fluoro-1H-quinolin-4-one

8-fluoro-1H-quinolin-4-one (PubChem CID 2737334) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 8-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-1H-quinolin-4-one
PubChem CID2737334
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name8-fluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(F)cccc12
InChIInChI=1S/C9H6FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
InChIKeyHTELWJVKZKSAQI-UHFFFAOYSA-N
XLogP1.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-1H-quinolin-4-one (CID 2737334) is 8-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-1H-quinolin-4-one is O=c1cc[nH]c2c(F)cccc12.
What is the InChIKey of 8-fluoro-1H-quinolin-4-one?
The InChIKey is HTELWJVKZKSAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12).
What are the key properties of 8-fluoro-1H-quinolin-4-one?
8-fluoro-1H-quinolin-4-one has a molecular weight of 163.15 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 2737334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).