3-chloro-6-fluoro-1H-quinolin-4-one

C9H5ClFNO — CID 45118012

IUPAC3-chloro-6-fluoro-1H-quinolin-4-one
SMILESO=c1c(Cl)c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H5ClFNO/c10-7-4-12-8-2-1-5(11)3-6(8)9(7)13/h1-4H,(H,12,13)
InChIKeyYLHCFKGEXKJUDO-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.32
Rot. Bonds

About 3-chloro-6-fluoro-1H-quinolin-4-one

3-chloro-6-fluoro-1H-quinolin-4-one (PubChem CID 45118012) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 3-chloro-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-6-fluoro-1H-quinolin-4-one
PubChem CID45118012
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name3-chloro-6-fluoro-1H-quinolin-4-one
SMILESO=c1c(Cl)c[nH]c2ccc(F)cc12
InChIInChI=1S/C9H5ClFNO/c10-7-4-12-8-2-1-5(11)3-6(8)9(7)13/h1-4H,(H,12,13)
InChIKeyYLHCFKGEXKJUDO-UHFFFAOYSA-N
XLogP2.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-6-(difluoromethoxy)-1H-quinolin-4-one
CID 114759282
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5-fluoro-1H-indol-3-ol
CID 90083452
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
CID 135623219
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
3-(difluoromethylsulfanyl)-5-fluoro-1H-indole
CID 122212167
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 3-chloro-6-fluoro-1H-quinolin-4-one (CID 45118012) is 3-chloro-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-6-fluoro-1H-quinolin-4-one is O=c1c(Cl)c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-chloro-6-fluoro-1H-quinolin-4-one?
The InChIKey is YLHCFKGEXKJUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-7-4-12-8-2-1-5(11)3-6(8)9(7)13/h1-4H,(H,12,13).
What are the key properties of 3-chloro-6-fluoro-1H-quinolin-4-one?
3-chloro-6-fluoro-1H-quinolin-4-one has a molecular weight of 197.60 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 45118012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).