3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone

C18H26N2O4S — CID 110335894

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C18H26N2O4S/c1-24-12-13-25(22,23)19-10-4-8-16(14-19)18(21)20-11-5-7-15-6-2-3-9-17(15)20/h2-3,6,9,16H,4-5,7-8,10-14H2,1H3
InChIKeyPGCLQTWKBRYEKE-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.65
Rot. Bonds5

About 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone (PubChem CID 110335894) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
PubChem CID110335894
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C18H26N2O4S/c1-24-12-13-25(22,23)19-10-4-8-16(14-19)18(21)20-11-5-7-15-6-2-3-9-17(15)20/h2-3,6,9,16H,4-5,7-8,10-14H2,1H3
InChIKeyPGCLQTWKBRYEKE-UHFFFAOYSA-N
XLogP1.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
N-benzyl-1-(2-methoxyethylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 110335879
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984287
2,3-dihydroindol-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552708
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
1-(2-methoxyethylsulfonyl)-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 110335932

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone (CID 110335894) is 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone is COCCS(=O)(=O)N1CCCC(C(=O)N2CCCc3ccccc32)C1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone?
The InChIKey is PGCLQTWKBRYEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-12-13-25(22,23)19-10-4-8-16(14-19)18(21)20-11-5-7-15-6-2-3-9-17(15)20/h2-3,6,9,16H,4-5,7-8,10-14H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone has a molecular weight of 366.48 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 110335894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).