5-fluoro-4aH-quinolin-2-one

C9H6FNO — CID 73200527

IUPAC5-fluoro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(F)=CC=CC2=N1
InChIInChI=1S/C9H6FNO/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-6H
InChIKeyMPGXUBMXVYBJPB-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.56
Rot. Bonds

About 5-fluoro-4aH-quinolin-2-one

5-fluoro-4aH-quinolin-2-one (PubChem CID 73200527) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 5-fluoro-4aH-quinolin-2-one.

Molecular Properties

Compound Name5-fluoro-4aH-quinolin-2-one
PubChem CID73200527
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name5-fluoro-4aH-quinolin-2-one
SMILESO=C1C=CC2C(F)=CC=CC2=N1
InChIInChI=1S/C9H6FNO/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-6H
InChIKeyMPGXUBMXVYBJPB-UHFFFAOYSA-N
XLogP1.56
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
Quinoline-2,6-dione
CID 45039516
3,4-Difluoro-1-benzazepin-2-one
CID 19706833
6-(Fluoromethyl)indol-2-one
CID 20284781
6-Fluoroindol-2-one
CID 45108281
5-Fluoro-2-oxo-indole
CID 46739847
4-Fluoro-2H-indol-2-one
CID 46739859
3-Fluoro-1-benzazepin-2-one
CID 87395462
3-fluoro-3H-quinolin-2-one
CID 119086068
3-(Fluoromethyl)-1-benzazepin-2-one
CID 145807747
7-(Trifluoromethyl)-1-benzazepin-2-one
CID 153881845

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4aH-quinolin-2-one?
The IUPAC name of 5-fluoro-4aH-quinolin-2-one (CID 73200527) is 5-fluoro-4aH-quinolin-2-one.
What is the SMILES notation for 5-fluoro-4aH-quinolin-2-one?
The canonical SMILES for 5-fluoro-4aH-quinolin-2-one is O=C1C=CC2C(F)=CC=CC2=N1.
What is the InChIKey of 5-fluoro-4aH-quinolin-2-one?
The InChIKey is MPGXUBMXVYBJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-6H.
What are the key properties of 5-fluoro-4aH-quinolin-2-one?
5-fluoro-4aH-quinolin-2-one has a molecular weight of 163.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4aH-quinolin-2-one is sourced from PubChem (CID 73200527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).