4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one

C16H17FN2O2S — CID 71930254

IUPAC4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
SMILESCC1SCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1C
InChIInChI=1S/C16H17FN2O2S/c1-9-10(2)22-6-5-19(9)16(21)13-8-15(20)18-14-7-11(17)3-4-12(13)14/h3-4,7-10H,5-6H2,1-2H3,(H,18,20)
InChIKeyREAWEGKNUHDGPB-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.63
Rot. Bonds1

About 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one

4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one (PubChem CID 71930254) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
PubChem CID71930254
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
SMILESCC1SCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1C
InChIInChI=1S/C16H17FN2O2S/c1-9-10(2)22-6-5-19(9)16(21)13-8-15(20)18-14-7-11(17)3-4-12(13)14/h3-4,7-10H,5-6H2,1-2H3,(H,18,20)
InChIKeyREAWEGKNUHDGPB-UHFFFAOYSA-N
XLogP2.63
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one (CID 71930254) is 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one is CC1SCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1C.
What is the InChIKey of 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one?
The InChIKey is REAWEGKNUHDGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-9-10(2)22-6-5-19(9)16(21)13-8-15(20)18-14-7-11(17)3-4-12(13)14/h3-4,7-10H,5-6H2,1-2H3,(H,18,20).
What are the key properties of 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one?
4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 71930254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).