2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane

C21H32N2OS — CID 143644944

IUPAC2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
SMILESCC.CC.Cc1cccc2c1N(C(=O)CSC1C=CC=CN1)CCC2
InChIInChI=1S/C17H20N2OS.2C2H6/c1-13-6-4-7-14-8-5-11-19(17(13)14)16(20)12-21-15-9-2-3-10-18-15;2*1-2/h2-4,6-7,9-10,15,18H,5,8,11-12H2,1H3;2*1-2H3
InChIKeyRIEBVOKXAUKXPM-UHFFFAOYSA-N
MW360.57 g/mol
LogP5.06
Rot. Bonds3

About 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane

2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane (PubChem CID 143644944) has the molecular formula C21H32N2OS and a molecular weight of 360.57 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
PubChem CID143644944
Molecular FormulaC21H32N2OS
Molecular Weight360.57 g/mol
Exact Mass360.22
IUPAC Name2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
SMILESCC.CC.Cc1cccc2c1N(C(=O)CSC1C=CC=CN1)CCC2
InChIInChI=1S/C17H20N2OS.2C2H6/c1-13-6-4-7-14-8-5-11-19(17(13)14)16(20)12-21-15-9-2-3-10-18-15;2*1-2/h2-4,6-7,9-10,15,18H,5,8,11-12H2,1H3;2*1-2H3
InChIKeyRIEBVOKXAUKXPM-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.57
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane with MolForge

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Related Compounds

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 24900640
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 55480720
2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116677326
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-methylsulfanylbutan-1-one
CID 61253817

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The IUPAC name of 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane (CID 143644944) is 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The canonical SMILES for 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane is CC.CC.Cc1cccc2c1N(C(=O)CSC1C=CC=CN1)CCC2.
What is the InChIKey of 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
The InChIKey is RIEBVOKXAUKXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS.2C2H6/c1-13-6-4-7-14-8-5-11-19(17(13)14)16(20)12-21-15-9-2-3-10-18-15;2*1-2/h2-4,6-7,9-10,15,18H,5,8,11-12H2,1H3;2*1-2H3.
What are the key properties of 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane?
2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane has a molecular weight of 360.57 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane is sourced from PubChem (CID 143644944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).