1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one

C16H14FNO4S — CID 110635382

IUPAC1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(=O)(=O)c1ccc(F)cc1)CCC2=O
InChIInChI=1S/C16H14FNO4S/c1-22-15-4-2-3-13-14(19)9-10-18(16(13)15)23(20,21)12-7-5-11(17)6-8-12/h2-8H,9-10H2,1H3
InChIKeyZFOJFEKTVCDKOM-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one

1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 110635382) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID110635382
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1cccc2c1N(S(=O)(=O)c1ccc(F)cc1)CCC2=O
InChIInChI=1S/C16H14FNO4S/c1-22-15-4-2-3-13-14(19)9-10-18(16(13)15)23(20,21)12-7-5-11(17)6-8-12/h2-8H,9-10H2,1H3
InChIKeyZFOJFEKTVCDKOM-UHFFFAOYSA-N
XLogP2.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635399
8-methoxy-1-methylsulfonyl-2,3-dihydroquinolin-4-one
CID 110635377
8-methoxy-1-thiophen-2-ylsulfonyl-2,3-dihydroquinolin-4-one
CID 110635402
1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146
1-[4-[(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110635566
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993539
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110406834
1-(1,3-benzodioxol-5-ylsulfonyl)-8-methyl-2,3-dihydroquinolin-4-one
CID 110635542
7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 10568487
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one (CID 110635382) is 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one is COc1cccc2c1N(S(=O)(=O)c1ccc(F)cc1)CCC2=O.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is ZFOJFEKTVCDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c1-22-15-4-2-3-13-14(19)9-10-18(16(13)15)23(20,21)12-7-5-11(17)6-8-12/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one?
1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 335.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).