8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline

C14H15FN2S — CID 66289908

IUPAC8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
SMILESFc1cc(CSCC2CNC2)c2ncccc2c1
InChIInChI=1S/C14H15FN2S/c15-13-4-11-2-1-3-17-14(11)12(5-13)9-18-8-10-6-16-7-10/h1-5,10,16H,6-9H2
InChIKeyGXOPRYNAKLXNSN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.83
Rot. Bonds4

About 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline

8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline (PubChem CID 66289908) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline.

Molecular Properties

Compound Name8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
PubChem CID66289908
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
SMILESFc1cc(CSCC2CNC2)c2ncccc2c1
InChIInChI=1S/C14H15FN2S/c15-13-4-11-2-1-3-17-14(11)12(5-13)9-18-8-10-6-16-7-10/h1-5,10,16H,6-9H2
InChIKeyGXOPRYNAKLXNSN-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline?
The IUPAC name of 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline (CID 66289908) is 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline.
What is the SMILES notation for 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline?
The canonical SMILES for 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline is Fc1cc(CSCC2CNC2)c2ncccc2c1.
What is the InChIKey of 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline?
The InChIKey is GXOPRYNAKLXNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-13-4-11-2-1-3-17-14(11)12(5-13)9-18-8-10-6-16-7-10/h1-5,10,16H,6-9H2.
What are the key properties of 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline?
8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline has a molecular weight of 262.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline is sourced from PubChem (CID 66289908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).