1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one

C17H22FNO4S — CID 71914326

IUPAC1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
SMILESCC(C(=O)N1CCCc2cccc(F)c21)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C17H22FNO4S/c1-12(24(21,22)14-7-10-23-11-8-14)17(20)19-9-3-5-13-4-2-6-15(18)16(13)19/h2,4,6,12,14H,3,5,7-11H2,1H3
InChIKeyKFCSUMDOQBLCJL-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.09
Rot. Bonds3

About 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one

1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one (PubChem CID 71914326) has the molecular formula C17H22FNO4S and a molecular weight of 355.43 g/mol. Its IUPAC name is 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one.

Molecular Properties

Compound Name1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
PubChem CID71914326
Molecular FormulaC17H22FNO4S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC Name1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
SMILESCC(C(=O)N1CCCc2cccc(F)c21)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C17H22FNO4S/c1-12(24(21,22)14-7-10-23-11-8-14)17(20)19-9-3-5-13-4-2-6-15(18)16(13)19/h2,4,6,12,14H,3,5,7-11H2,1H3
InChIKeyKFCSUMDOQBLCJL-UHFFFAOYSA-N
XLogP2.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydroquinolin-1(2H)-yl)-3-(phenylsulfonyl)propan-1-one
CID 6458098
2-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 977576
3-(benzylsulfonyl)-1-(3,4-dihydroquinolin-1(2H)-yl)propan-1-one
CID 2231616
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-ylmethylsulfonyl)propan-1-one
CID 53528655
1-(6,8-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfonylbutan-1-one
CID 71865292
2-[(1S)-1-(2,6-difluorophenyl)ethyl]sulfonyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 95047276
2-[(3S)-1,1-dioxothiolan-3-yl]-1-(5-fluoro-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 98161593
2-(1,1-dioxothietan-3-yl)-N-(3-fluoro-4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 138017679
2-[(3R)-1,1-dioxothian-3-yl]-1-(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 164634060
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(3S)-oxolan-3-yl]sulfonylethanone
CID 164642933
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7651160
2-(benzylsulfanyl)-1-(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 24229023

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
The IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one (CID 71914326) is 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one.
What is the SMILES notation for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
The canonical SMILES for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one is CC(C(=O)N1CCCc2cccc(F)c21)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
The InChIKey is KFCSUMDOQBLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO4S/c1-12(24(21,22)14-7-10-23-11-8-14)17(20)19-9-3-5-13-4-2-6-15(18)16(13)19/h2,4,6,12,14H,3,5,7-11H2,1H3.
What are the key properties of 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one has a molecular weight of 355.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one is sourced from PubChem (CID 71914326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).