6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

C17H13FN4OS — CID 38833035

IUPAC6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
SMILESCn1c(SCc2cc(F)cc3cccnc23)nnc1-c1ccco1
InChIInChI=1S/C17H13FN4OS/c1-22-16(14-5-3-7-23-14)20-21-17(22)24-10-12-9-13(18)8-11-4-2-6-19-15(11)12/h2-9H,10H2,1H3
InChIKeySNWYNRDEWSLXJJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.05
Rot. Bonds4

About 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline (PubChem CID 38833035) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline.

Molecular Properties

Compound Name6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
PubChem CID38833035
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
SMILESCn1c(SCc2cc(F)cc3cccnc23)nnc1-c1ccco1
InChIInChI=1S/C17H13FN4OS/c1-22-16(14-5-3-7-23-14)20-21-17(22)24-10-12-9-13(18)8-11-4-2-6-19-15(11)12/h2-9H,10H2,1H3
InChIKeySNWYNRDEWSLXJJ-UHFFFAOYSA-N
XLogP4.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline?
The IUPAC name of 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline (CID 38833035) is 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline.
What is the SMILES notation for 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline?
The canonical SMILES for 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline is Cn1c(SCc2cc(F)cc3cccnc23)nnc1-c1ccco1.
What is the InChIKey of 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline?
The InChIKey is SNWYNRDEWSLXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-22-16(14-5-3-7-23-14)20-21-17(22)24-10-12-9-13(18)8-11-4-2-6-19-15(11)12/h2-9H,10H2,1H3.
What are the key properties of 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline?
6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline has a molecular weight of 340.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline is sourced from PubChem (CID 38833035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).