8-fluoro-3H-quinolin-4-one

C9H6FNO — CID 130156914

IUPAC8-fluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(F)cccc21
InChIInChI=1S/C9H6FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-3,5H,4H2
InChIKeyKHZRWQBLVQSGSP-UHFFFAOYSA-N
MW163.15 g/mol
LogP2.11
Rot. Bonds

About 8-fluoro-3H-quinolin-4-one

8-fluoro-3H-quinolin-4-one (PubChem CID 130156914) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 8-fluoro-3H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-3H-quinolin-4-one
PubChem CID130156914
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name8-fluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(F)cccc21
InChIInChI=1S/C9H6FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-3,5H,4H2
InChIKeyKHZRWQBLVQSGSP-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3H-quinolin-4-one?
The IUPAC name of 8-fluoro-3H-quinolin-4-one (CID 130156914) is 8-fluoro-3H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-3H-quinolin-4-one?
The canonical SMILES for 8-fluoro-3H-quinolin-4-one is O=C1CC=Nc2c(F)cccc21.
What is the InChIKey of 8-fluoro-3H-quinolin-4-one?
The InChIKey is KHZRWQBLVQSGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-3,5H,4H2.
What are the key properties of 8-fluoro-3H-quinolin-4-one?
8-fluoro-3H-quinolin-4-one has a molecular weight of 163.15 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3H-quinolin-4-one is sourced from PubChem (CID 130156914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).