(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

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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).