6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one

C16H21FN2O2S — CID 142925669

IUPAC6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one
SMILESC=S(=O)(c1ccc2c(c1)c(F)cc(=O)n2C)N(CC)CCC
InChIInChI=1S/C16H21FN2O2S/c1-5-9-19(6-2)22(4,21)12-7-8-15-13(10-12)14(17)11-16(20)18(15)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLWHPKGIXIASWOB-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.40
Rot. Bonds5

About 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one

6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one (PubChem CID 142925669) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one
PubChem CID142925669
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC Name6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one
SMILESC=S(=O)(c1ccc2c(c1)c(F)cc(=O)n2C)N(CC)CCC
InChIInChI=1S/C16H21FN2O2S/c1-5-9-19(6-2)22(4,21)12-7-8-15-13(10-12)14(17)11-16(20)18(15)3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLWHPKGIXIASWOB-UHFFFAOYSA-N
XLogP2.40
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one with MolForge

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Related Compounds

N-benzyl-N-ethyl-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238825
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N,1-dimethyl-2-oxo-N-phenyl-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 22238936
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55756401
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
4-(diethylamino)-1-methylquinolin-2-one
CID 121227285
6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 22055315
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-dipropylacetamide
CID 20865921
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761321
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444

Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one?
The IUPAC name of 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one (CID 142925669) is 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one.
What is the SMILES notation for 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one?
The canonical SMILES for 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one is C=S(=O)(c1ccc2c(c1)c(F)cc(=O)n2C)N(CC)CCC.
What is the InChIKey of 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one?
The InChIKey is LWHPKGIXIASWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-5-9-19(6-2)22(4,21)12-7-8-15-13(10-12)14(17)11-16(20)18(15)3/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one?
6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(propyl)amino]-methylidene-oxo-λ6-sulfanyl]-4-fluoro-1-methylquinolin-2-one is sourced from PubChem (CID 142925669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).