1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione

C19H21NO2S — CID 55480720

IUPAC1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCCc3cccc(C)c32)s1
InChIInChI=1S/C19H21NO2S/c1-13-5-3-6-15-7-4-12-20(19(13)15)18(22)11-9-16(21)17-10-8-14(2)23-17/h3,5-6,8,10H,4,7,9,11-12H2,1-2H3
InChIKeyACYPIYJKDVAYNV-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.31
Rot. Bonds4

About 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione (PubChem CID 55480720) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
PubChem CID55480720
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
SMILESCc1ccc(C(=O)CCC(=O)N2CCCc3cccc(C)c32)s1
InChIInChI=1S/C19H21NO2S/c1-13-5-3-6-15-7-4-12-20(19(13)15)18(22)11-9-16(21)17-10-8-14(2)23-17/h3,5-6,8,10H,4,7,9,11-12H2,1-2H3
InChIKeyACYPIYJKDVAYNV-UHFFFAOYSA-N
XLogP4.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione with MolForge

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Related Compounds

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153150
1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 55480391
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
1-(2-methyl-2,3-dihydroindol-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 78802116
2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
N-(2,6-dimethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide
CID 9021732
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione?
The IUPAC name of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione (CID 55480720) is 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione.
What is the SMILES notation for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione?
The canonical SMILES for 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione is Cc1ccc(C(=O)CCC(=O)N2CCCc3cccc(C)c32)s1.
What is the InChIKey of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione?
The InChIKey is ACYPIYJKDVAYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-13-5-3-6-15-7-4-12-20(19(13)15)18(22)11-9-16(21)17-10-8-14(2)23-17/h3,5-6,8,10H,4,7,9,11-12H2,1-2H3.
What are the key properties of 1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione?
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione has a molecular weight of 327.45 g/mol, XLogP of 4.31, 4 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)-4-(5-methylthiophen-2-yl)butane-1,4-dione is sourced from PubChem (CID 55480720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).