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

C18H17F3N2OS — CID 24900573

IUPAC1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncccc1C(F)(F)F)CCC2
InChIInChI=1S/C18H17F3N2OS/c1-12-5-2-6-13-7-4-10-23(16(12)13)15(24)11-25-17-14(18(19,20)21)8-3-9-22-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
InChIKeyGTQOVVAPAPTVRE-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.48
Rot. Bonds3

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

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (PubChem CID 24900573) has the molecular formula C18H17F3N2OS and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
PubChem CID24900573
Molecular FormulaC18H17F3N2OS
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncccc1C(F)(F)F)CCC2
InChIInChI=1S/C18H17F3N2OS/c1-12-5-2-6-13-7-4-10-23(16(12)13)15(24)11-25-17-14(18(19,20)21)8-3-9-22-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
InChIKeyGTQOVVAPAPTVRE-UHFFFAOYSA-N
XLogP4.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The IUPAC name of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (CID 24900573) is 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.
What is the SMILES notation for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The canonical SMILES for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is Cc1cccc2c1N(C(=O)CSc1ncccc1C(F)(F)F)CCC2.
What is the InChIKey of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The InChIKey is GTQOVVAPAPTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2OS/c1-12-5-2-6-13-7-4-10-23(16(12)13)15(24)11-25-17-14(18(19,20)21)8-3-9-22-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3.
What are the key properties of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone has a molecular weight of 366.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is sourced from PubChem (CID 24900573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).