3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one

C11H9ClFNO — CID 178186285

IUPAC3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one
SMILESO=C1N=C2C=CC(F)C=C2C=C1CCCl
InChIInChI=1S/C11H9ClFNO/c12-4-3-7-5-8-6-9(13)1-2-10(8)14-11(7)15/h1-2,5-6,9H,3-4H2
InChIKeyMIJYUYQJBIDGAI-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.36
Rot. Bonds2

About 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one

3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one (PubChem CID 178186285) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one
PubChem CID178186285
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one
SMILESO=C1N=C2C=CC(F)C=C2C=C1CCCl
InChIInChI=1S/C11H9ClFNO/c12-4-3-7-5-8-6-9(13)1-2-10(8)14-11(7)15/h1-2,5-6,9H,3-4H2
InChIKeyMIJYUYQJBIDGAI-UHFFFAOYSA-N
XLogP2.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-Chloroethyl)-4-fluoroindol-2-one
CID 174906606
3-(1-Chloro-2-fluoroethyl)indol-2-one
CID 175017063
7-chloro-8-fluoro-8H-quinolin-2-one
CID 138058931
8-chloro-5-fluoro-4aH-quinolin-2-one
CID 178188337
6-Chloro-3-(2-chloroethyl)indol-2-one
CID 140512430
3-chloro-4-methylquinolin-2(3H)-one
CID 71650939
3-(2-chloroethyl)-7-methyl-3H-quinolin-2-one
CID 76844625
6-chloro-6H-quinolin-2-one
CID 77519982
(3R)-3-chloro-4-methyl-3H-quinolin-2-one
CID 97032447
(3S)-3-chloro-4-methyl-3H-quinolin-2-one
CID 97032448
8-Chloro-6-methylidenequinolin-2-one
CID 178188346

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one?
The IUPAC name of 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one (CID 178186285) is 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one?
The canonical SMILES for 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one is O=C1N=C2C=CC(F)C=C2C=C1CCCl.
What is the InChIKey of 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one?
The InChIKey is MIJYUYQJBIDGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-4-3-7-5-8-6-9(13)1-2-10(8)14-11(7)15/h1-2,5-6,9H,3-4H2.
What are the key properties of 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one?
3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one has a molecular weight of 225.65 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-6-fluoro-6H-quinolin-2-one is sourced from PubChem (CID 178186285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).