(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone

C20H24N2O6S2 — CID 55873184

IUPAC(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C20H24N2O6S2/c1-29(24,25)16-7-8-17-15(14-16)6-5-13-22(17)20(23)18-9-10-19(28-18)30(26,27)21-11-3-2-4-12-21/h7-10,14H,2-6,11-13H2,1H3
InChIKeyOAHWGQDGPCMQCL-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.45
Rot. Bonds4

About (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone

(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone (PubChem CID 55873184) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
PubChem CID55873184
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Name(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C20H24N2O6S2/c1-29(24,25)16-7-8-17-15(14-16)6-5-13-22(17)20(23)18-9-10-19(28-18)30(26,27)21-11-3-2-4-12-21/h7-10,14H,2-6,11-13H2,1H3
InChIKeyOAHWGQDGPCMQCL-UHFFFAOYSA-N
XLogP2.45
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone with MolForge

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Related Compounds

(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
(5-morpholin-4-ylsulfonylfuran-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 46686951
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
1-benzofuran-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26466097
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872666
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 126837848
(4-chloro-2-iodophenyl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55874081
[4-(benzenesulfonylmethyl)phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873828

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
The IUPAC name of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone (CID 55873184) is (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
The canonical SMILES for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
The InChIKey is OAHWGQDGPCMQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-29(24,25)16-7-8-17-15(14-16)6-5-13-22(17)20(23)18-9-10-19(28-18)30(26,27)21-11-3-2-4-12-21/h7-10,14H,2-6,11-13H2,1H3.
What are the key properties of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone?
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone has a molecular weight of 452.55 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 55873184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).