8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one

C18H13F2NOS — CID 53362552

IUPAC8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3ccc(-c4ccc(F)cc4F)cc13)CCSC2
InChIInChI=1S/C18H13F2NOS/c19-11-2-3-12(15(20)8-11)10-1-4-16-13(7-10)18(22)14-9-23-6-5-17(14)21-16/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKeyYBKRWFMCNAXMQX-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.26
Rot. Bonds1

About 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one

8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one (PubChem CID 53362552) has the molecular formula C18H13F2NOS and a molecular weight of 329.37 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
PubChem CID53362552
Molecular FormulaC18H13F2NOS
Molecular Weight329.37 g/mol
Exact Mass329.07
IUPAC Name8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3ccc(-c4ccc(F)cc4F)cc13)CCSC2
InChIInChI=1S/C18H13F2NOS/c19-11-2-3-12(15(20)8-11)10-1-4-16-13(7-10)18(22)14-9-23-6-5-17(14)21-16/h1-4,7-8H,5-6,9H2,(H,21,22)
InChIKeyYBKRWFMCNAXMQX-UHFFFAOYSA-N
XLogP4.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The IUPAC name of 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one (CID 53362552) is 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one.
What is the SMILES notation for 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The canonical SMILES for 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one is O=c1c2c([nH]c3ccc(-c4ccc(F)cc4F)cc13)CCSC2.
What is the InChIKey of 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The InChIKey is YBKRWFMCNAXMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS/c19-11-2-3-12(15(20)8-11)10-1-4-16-13(7-10)18(22)14-9-23-6-5-17(14)21-16/h1-4,7-8H,5-6,9H2,(H,21,22).
What are the key properties of 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one has a molecular weight of 329.37 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one is sourced from PubChem (CID 53362552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).