6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline

C12H16FNO2S — CID 110714234

IUPAC6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCCCS(=O)(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C12H16FNO2S/c1-2-8-17(15,16)14-7-3-4-10-9-11(13)5-6-12(10)14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOTFAKZUGKBBWCQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.32
Rot. Bonds3

About 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline

6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 110714234) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID110714234
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCCCS(=O)(=O)N1CCCc2cc(F)ccc21
InChIInChI=1S/C12H16FNO2S/c1-2-8-17(15,16)14-7-3-4-10-9-11(13)5-6-12(10)14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyOTFAKZUGKBBWCQ-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline (CID 110714234) is 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline is CCCS(=O)(=O)N1CCCc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is OTFAKZUGKBBWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-2-8-17(15,16)14-7-3-4-10-9-11(13)5-6-12(10)14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline?
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 257.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110714234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).