(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone

C13H15FN2OS — CID 110742319

IUPAC(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C13H15FN2OS/c14-10-3-4-12-9(6-10)2-1-5-16(12)13(17)11-7-18-8-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyVRXDASPWGACGLQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.77
Rot. Bonds1

About (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone

(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110742319) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
PubChem CID110742319
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCCc2cc(F)ccc21
InChIInChI=1S/C13H15FN2OS/c14-10-3-4-12-9(6-10)2-1-5-16(12)13(17)11-7-18-8-15-11/h3-4,6,11,15H,1-2,5,7-8H2
InChIKeyVRXDASPWGACGLQ-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone (CID 110742319) is (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CCCc2cc(F)ccc21.
What is the InChIKey of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is VRXDASPWGACGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-10-3-4-12-9(6-10)2-1-5-16(12)13(17)11-7-18-8-15-11/h3-4,6,11,15H,1-2,5,7-8H2.
What are the key properties of (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone?
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110742319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).