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

C17H24N2O3S — CID 51079341

IUPAC(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-13-7-12-19(16-6-4-3-5-15(13)16)17(20)14-8-10-18(11-9-14)23(2,21)22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyIPJBCEUXXYYEKD-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.20
Rot. Bonds2

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

(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 51079341) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID51079341
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21
InChIInChI=1S/C17H24N2O3S/c1-13-7-12-19(16-6-4-3-5-15(13)16)17(20)14-8-10-18(11-9-14)23(2,21)22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyIPJBCEUXXYYEKD-UHFFFAOYSA-N
XLogP2.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 51079341) is (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is CC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21.
What is the InChIKey of (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is IPJBCEUXXYYEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-7-12-19(16-6-4-3-5-15(13)16)17(20)14-8-10-18(11-9-14)23(2,21)22/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 336.46 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 51079341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).