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

C17H17ClN2OS — CID 24900571

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncccc1Cl)CCC2
InChIInChI=1S/C17H17ClN2OS/c1-12-5-2-6-13-7-4-10-20(16(12)13)15(21)11-22-17-14(18)8-3-9-19-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
InChIKeyOFWFWXOQRODVCI-UHFFFAOYSA-N
MW332.86 g/mol
LogP4.11
Rot. Bonds3

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

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 24900571) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID24900571
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncccc1Cl)CCC2
InChIInChI=1S/C17H17ClN2OS/c1-12-5-2-6-13-7-4-10-20(16(12)13)15(21)11-22-17-14(18)8-3-9-19-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3
InChIKeyOFWFWXOQRODVCI-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2098997
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2341018
1-(4-Chlorophenyl)-4-[(2-pyridinylthio)acetyl]piperazine
CID 977376
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57328937
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethanone
CID 24758652
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900570
2-(5-Chloro-pyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 24900572
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethanone
CID 24900573
US9181219, 1-(1,2,3,4-tetrahydroquinolin-1-yl)-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}ethan-1-one
CID 24900633
US9181219, 2-{[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CID 24900704
US9181219, 2-[(3,5-dichloropyridin-2-yl)sulfanyl]-1-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CID 24900705
US9181219, 2-{[2-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
CID 24900706

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 24900571) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cccc2c1N(C(=O)CSc1ncccc1Cl)CCC2.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is OFWFWXOQRODVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c1-12-5-2-6-13-7-4-10-20(16(12)13)15(21)11-22-17-14(18)8-3-9-19-17/h2-3,5-6,8-9H,4,7,10-11H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 332.86 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 24900571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).