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

C17H22FNO4S — CID 97063042

IUPAC(2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
SMILESC[C@H](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/t12-/m1/s1
InChIKeyKFCSUMDOQBLCJL-GFCCVEGCSA-N
MW355.43 g/mol
LogP2.09
Rot. Bonds3

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

(2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one (PubChem CID 97063042) has the molecular formula C17H22FNO4S and a molecular weight of 355.43 g/mol. Its IUPAC name is (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
PubChem CID97063042
Molecular FormulaC17H22FNO4S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC Name(2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
SMILESC[C@H](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/t12-/m1/s1
InChIKeyKFCSUMDOQBLCJL-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
The IUPAC name of (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one (CID 97063042) is (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one.
What is the SMILES notation for (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
The canonical SMILES for (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one is C[C@H](C(=O)N1CCCc2cccc(F)c21)S(=O)(=O)C1CCOCC1.
What is the InChIKey of (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
The InChIKey is KFCSUMDOQBLCJL-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one?
(2R)-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 (2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one is sourced from PubChem (CID 97063042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).