3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone

C18H26N2O3S — CID 113006349

IUPAC3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-14-24(22,23)19-12-9-16(10-13-19)18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3
InChIKeyBFDXGQZZESDNCA-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.42
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone (PubChem CID 113006349) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
PubChem CID113006349
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-14-24(22,23)19-12-9-16(10-13-19)18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3
InChIKeyBFDXGQZZESDNCA-UHFFFAOYSA-N
XLogP2.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[(3S)-1-propylsulfonylpiperidin-3-yl]methanone
CID 51943375
(1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55777987
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methoxyethylsulfonyl)piperidin-3-yl]methanone
CID 110335894
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 92679158
2,3-dihydroindol-1-yl-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 38006990
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
CID 110857121
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone (CID 113006349) is 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone is CCCS(=O)(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone?
The InChIKey is BFDXGQZZESDNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-14-24(22,23)19-12-9-16(10-13-19)18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 113006349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).