(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one

C15H19ClFNO3S — CID 95625279

IUPAC(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N1CCCc2cc(Cl)cc(F)c21
InChIInChI=1S/C15H19ClFNO3S/c1-9(2)22(20,21)10(3)15(19)18-6-4-5-11-7-12(16)8-13(17)14(11)18/h7-10H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyGRDIWZWTJGVHCT-SNVBAGLBSA-N
MW347.84 g/mol
LogP2.97
Rot. Bonds3

About (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one

(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one (PubChem CID 95625279) has the molecular formula C15H19ClFNO3S and a molecular weight of 347.84 g/mol. Its IUPAC name is (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one
PubChem CID95625279
Molecular FormulaC15H19ClFNO3S
Molecular Weight347.84 g/mol
Exact Mass347.08
IUPAC Name(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N1CCCc2cc(Cl)cc(F)c21
InChIInChI=1S/C15H19ClFNO3S/c1-9(2)22(20,21)10(3)15(19)18-6-4-5-11-7-12(16)8-13(17)14(11)18/h7-10H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyGRDIWZWTJGVHCT-SNVBAGLBSA-N
XLogP2.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one with MolForge

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Related Compounds

(2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
CID 97063042
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
CID 71914326
1-(5,7-dichloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 82483275
1-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82483276
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
CID 115970115
(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-methylsulfonylfuran-2-yl)methanone
CID 86944569
(2,6-dichloro-4-pyridinyl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 87025666
(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 55768472
1-(8-bromo-6-chloro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 82490244
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
2-chloro-3-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-6-(trifluoromethylsulfonyl)benzonitrile
CID 156859128
1-(11-chloro-2,3,4,6,7,8,9,10-octahydropyrido[2,3-h][3]benzazepin-1-yl)-2-methylpropan-1-one
CID 71202932

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one?
The IUPAC name of (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one (CID 95625279) is (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one.
What is the SMILES notation for (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one?
The canonical SMILES for (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one is CC(C)S(=O)(=O)[C@H](C)C(=O)N1CCCc2cc(Cl)cc(F)c21.
What is the InChIKey of (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one?
The InChIKey is GRDIWZWTJGVHCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClFNO3S/c1-9(2)22(20,21)10(3)15(19)18-6-4-5-11-7-12(16)8-13(17)14(11)18/h7-10H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one?
(2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one has a molecular weight of 347.84 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-ylsulfonylpropan-1-one is sourced from PubChem (CID 95625279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).