8-chloro-6-fluoro-3H-quinolin-4-one

C9H5ClFNO — CID 165489575

IUPAC8-chloro-6-fluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(Cl)cc(F)cc21
InChIInChI=1S/C9H5ClFNO/c10-7-4-5(11)3-6-8(13)1-2-12-9(6)7/h2-4H,1H2
InChIKeyADKUEUHTGBMGLN-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.77
Rot. Bonds

About 8-chloro-6-fluoro-3H-quinolin-4-one

8-chloro-6-fluoro-3H-quinolin-4-one (PubChem CID 165489575) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 8-chloro-6-fluoro-3H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-6-fluoro-3H-quinolin-4-one
PubChem CID165489575
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name8-chloro-6-fluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(Cl)cc(F)cc21
InChIInChI=1S/C9H5ClFNO/c10-7-4-5(11)3-6-8(13)1-2-12-9(6)7/h2-4H,1H2
InChIKeyADKUEUHTGBMGLN-UHFFFAOYSA-N
XLogP2.77
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-3H-quinolin-4-one?
The IUPAC name of 8-chloro-6-fluoro-3H-quinolin-4-one (CID 165489575) is 8-chloro-6-fluoro-3H-quinolin-4-one.
What is the SMILES notation for 8-chloro-6-fluoro-3H-quinolin-4-one?
The canonical SMILES for 8-chloro-6-fluoro-3H-quinolin-4-one is O=C1CC=Nc2c(Cl)cc(F)cc21.
What is the InChIKey of 8-chloro-6-fluoro-3H-quinolin-4-one?
The InChIKey is ADKUEUHTGBMGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-7-4-5(11)3-6-8(13)1-2-12-9(6)7/h2-4H,1H2.
What are the key properties of 8-chloro-6-fluoro-3H-quinolin-4-one?
8-chloro-6-fluoro-3H-quinolin-4-one has a molecular weight of 197.60 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-3H-quinolin-4-one is sourced from PubChem (CID 165489575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).