10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one

C19H18F3NOS — CID 18187193

IUPAC10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one
SMILESO=C1CCCC2=C1C(c1cccc(C(F)(F)F)c1)C1=C(CCCS1)N2
InChIInChI=1S/C19H18F3NOS/c20-19(21,22)12-5-1-4-11(10-12)16-17-13(6-2-8-15(17)24)23-14-7-3-9-25-18(14)16/h1,4-5,10,16,23H,2-3,6-9H2
InChIKeyPUKYFLOUTAYHEP-UHFFFAOYSA-N
MW365.42 g/mol
LogP5.14
Rot. Bonds1

About 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one

10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one (PubChem CID 18187193) has the molecular formula C19H18F3NOS and a molecular weight of 365.42 g/mol. Its IUPAC name is 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one.

Molecular Properties

Compound Name10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one
PubChem CID18187193
Molecular FormulaC19H18F3NOS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Name10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one
SMILESO=C1CCCC2=C1C(c1cccc(C(F)(F)F)c1)C1=C(CCCS1)N2
InChIInChI=1S/C19H18F3NOS/c20-19(21,22)12-5-1-4-11(10-12)16-17-13(6-2-8-15(17)24)23-14-7-3-9-25-18(14)16/h1,4-5,10,16,23H,2-3,6-9H2
InChIKeyPUKYFLOUTAYHEP-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one with MolForge

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Related Compounds

(9S)-9-(4-fluoro-3-iodophenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
CID 11224935
(9S)-9-[4-fluoro-3-(trifluoromethyl)phenyl]-1,1-dioxo-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
CID 11269604
(9S)-9-(3-ethenyl-4-fluorophenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
CID 11485167
(9S)-9-(3,4-difluorophenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
CID 11279572
(9S)-9-(4-fluoro-3-methylphenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
CID 44337424
(9S)-9-(3-acetyl-4-fluorophenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
CID 44337600
(9S)-9-(4-fluoro-3-phenylphenyl)-1,1-dioxo-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one
CID 44337723
3,3,6,6-Tetramethyl-9-(3-(trifluoromethyl)phenyl)-3,4,6,7,9,10-hexahydroacridine-1,8(2h,5h)-dione
CID 1147848
3,6-Dimethyl-9-[4-(trifluoromethyl)phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 66561722
3,6-Dimethyl-9-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 76312162
9-[3-Fluoro-5-(trifluoromethyl)phenyl]-3,6-dimethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 76312281
9-[2-Fluoro-5-(trifluoromethyl)phenyl]-3,6-dimethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 76319519

Frequently Asked Questions

What is the IUPAC name of 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one?
The IUPAC name of 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one (CID 18187193) is 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one.
What is the SMILES notation for 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one?
The canonical SMILES for 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one is O=C1CCCC2=C1C(c1cccc(C(F)(F)F)c1)C1=C(CCCS1)N2.
What is the InChIKey of 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one?
The InChIKey is PUKYFLOUTAYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NOS/c20-19(21,22)12-5-1-4-11(10-12)16-17-13(6-2-8-15(17)24)23-14-7-3-9-25-18(14)16/h1,4-5,10,16,23H,2-3,6-9H2.
What are the key properties of 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one?
10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one has a molecular weight of 365.42 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b]quinolin-9-one is sourced from PubChem (CID 18187193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).