(1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H27FN2O3S — CID 55777987

IUPAC(1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCCc3cc(F)ccc32)CC1
InChIInChI=1S/C19H27FN2O3S/c1-2-3-13-26(24,25)21-11-8-15(9-12-21)19(23)22-10-4-5-16-14-17(20)6-7-18(16)22/h6-7,14-15H,2-5,8-13H2,1H3
InChIKeyGMYDWKMQBIJYIM-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.95
Rot. Bonds5

About (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55777987) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55777987
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name(1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N2CCCc3cc(F)ccc32)CC1
InChIInChI=1S/C19H27FN2O3S/c1-2-3-13-26(24,25)21-11-8-15(9-12-21)19(23)22-10-4-5-16-14-17(20)6-7-18(16)22/h6-7,14-15H,2-5,8-13H2,1H3
InChIKeyGMYDWKMQBIJYIM-UHFFFAOYSA-N
XLogP2.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
(1-butylsulfonylpiperidin-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 6472541
1-butylsulfonyl-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 166184399
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
[1-(4-fluorobenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78776232
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(1-butylsulfonylpiperidin-4-yl)methanone
CID 60611038
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288933
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435327
(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110636555
N-[(2R)-butan-2-yl]-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92877058
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
N,N-diethyl-1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55759827

Frequently Asked Questions

What is the IUPAC name of (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55777987) is (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is CCCCS(=O)(=O)N1CCC(C(=O)N2CCCc3cc(F)ccc32)CC1.
What is the InChIKey of (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GMYDWKMQBIJYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-2-3-13-26(24,25)21-11-8-15(9-12-21)19(23)22-10-4-5-16-14-17(20)6-7-18(16)22/h6-7,14-15H,2-5,8-13H2,1H3.
What are the key properties of (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 382.50 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylsulfonylpiperidin-4-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55777987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).