1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C18H26N2O3S — CID 15997303

IUPAC1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCCC3C)ccc21
InChIInChI=1S/C18H26N2O3S/c1-3-18(21)19-11-6-8-15-13-16(9-10-17(15)19)24(22,23)20-12-5-4-7-14(20)2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyGYHQNVLBUWCUQW-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.94
Rot. Bonds3

About 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 15997303) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID15997303
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCCC3C)ccc21
InChIInChI=1S/C18H26N2O3S/c1-3-18(21)19-11-6-8-15-13-16(9-10-17(15)19)24(22,23)20-12-5-4-7-14(20)2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyGYHQNVLBUWCUQW-UHFFFAOYSA-N
XLogP2.94
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 93058972
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284
1-(azepan-1-yl)-4-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025613
5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 126457259
1-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 20855824
3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059004
1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110429038
N-(3,4-dimethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794821
[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 55452092
(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55971406
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 15997303) is 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCCC3C)ccc21.
What is the InChIKey of 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is GYHQNVLBUWCUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-18(21)19-11-6-8-15-13-16(9-10-17(15)19)24(22,23)20-12-5-4-7-14(20)2/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 350.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 15997303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).