(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride

C13H15FN2O4S — CID 155926233

IUPAC(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride
SMILESO=C1CCc2cc([C@@H]3CN(S(=O)(=O)F)CCO3)ccc2N1
InChIInChI=1S/C13H15FN2O4S/c14-21(18,19)16-5-6-20-12(8-16)10-1-3-11-9(7-10)2-4-13(17)15-11/h1,3,7,12H,2,4-6,8H2,(H,15,17)/t12-/m0/s1
InChIKeySCLFEWXNRDHOGJ-LBPRGKRZSA-N
MW314.34 g/mol
LogP1.16
Rot. Bonds2

About (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride

(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride (PubChem CID 155926233) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride.

Molecular Properties

Compound Name(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride
PubChem CID155926233
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC Name(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride
SMILESO=C1CCc2cc([C@@H]3CN(S(=O)(=O)F)CCO3)ccc2N1
InChIInChI=1S/C13H15FN2O4S/c14-21(18,19)16-5-6-20-12(8-16)10-1-3-11-9(7-10)2-4-13(17)15-11/h1,3,7,12H,2,4-6,8H2,(H,15,17)/t12-/m0/s1
InChIKeySCLFEWXNRDHOGJ-LBPRGKRZSA-N
XLogP1.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95436529
6-morpholin-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82289623
6-(1,3-oxazolidin-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82472049
7-fluoro-6-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 139009064
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625
5-[2-(2-fluorophenyl)morpholin-4-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110326740
methane;(E)-N-methyl-N-[(E)-2-methyl-1-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-4-yl]but-1-enyl]-3-pyridin-4-ylbut-2-enamide
CID 143197834
6-(1,2,3,4-tetrahydroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550089
5-[2-(2-chlorophenyl)morpholin-4-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110326932
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
6-(1-methylpiperazin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82294809
2-(3-bromophenyl)-4-methylsulfonylmorpholine
CID 110364445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride?
The IUPAC name of (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride (CID 155926233) is (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride.
What is the SMILES notation for (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride?
The canonical SMILES for (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride is O=C1CCc2cc([C@@H]3CN(S(=O)(=O)F)CCO3)ccc2N1.
What is the InChIKey of (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride?
The InChIKey is SCLFEWXNRDHOGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c14-21(18,19)16-5-6-20-12(8-16)10-1-3-11-9(7-10)2-4-13(17)15-11/h1,3,7,12H,2,4-6,8H2,(H,15,17)/t12-/m0/s1.
What are the key properties of (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride?
(2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride has a molecular weight of 314.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholine-4-sulfonyl fluoride is sourced from PubChem (CID 155926233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).