2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H16F4N2OS — CID 24900704

IUPAC2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncc(C(F)(F)F)cc1F)CCC2
InChIInChI=1S/C18H16F4N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyZSDNADXRHRESKY-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.62
Rot. Bonds3

About 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 24900704) has the molecular formula C18H16F4N2OS and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID24900704
Molecular FormulaC18H16F4N2OS
Molecular Weight384.40 g/mol
Exact Mass384.09
IUPAC Name2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncc(C(F)(F)F)cc1F)CCC2
InChIInChI=1S/C18H16F4N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyZSDNADXRHRESKY-UHFFFAOYSA-N
XLogP4.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 24900704) is 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cccc2c1N(C(=O)CSc1ncc(C(F)(F)F)cc1F)CCC2.
What is the InChIKey of 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is ZSDNADXRHRESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2OS/c1-11-4-2-5-12-6-3-7-24(16(11)12)15(25)10-26-17-14(19)8-13(9-23-17)18(20,21)22/h2,4-5,8-9H,3,6-7,10H2,1H3.
What are the key properties of 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 384.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 24900704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).