(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

C23H28N2O3S — CID 55481052

IUPAC(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)CCC2
InChIInChI=1S/C23H28N2O3S/c1-17-12-15-24(16-13-17)29(27,28)21-10-8-20(9-11-21)23(26)25-14-4-7-19-6-3-5-18(2)22(19)25/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3
InChIKeyZPDLCJSCXQLLIR-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.01
Rot. Bonds3

About (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone

(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 55481052) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID55481052
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)CCC2
InChIInChI=1S/C23H28N2O3S/c1-17-12-15-24(16-13-17)29(27,28)21-10-8-20(9-11-21)23(26)25-14-4-7-19-6-3-5-18(2)22(19)25/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3
InChIKeyZPDLCJSCXQLLIR-UHFFFAOYSA-N
XLogP4.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]methanone
CID 7092245
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166194281
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 52909095
N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26115158
2-(2,3-dimethylanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824215
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893
(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 112835706
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109061546
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977
[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835728

Frequently Asked Questions

What is the IUPAC name of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 55481052) is (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone is Cc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)CCC2.
What is the InChIKey of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is ZPDLCJSCXQLLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-17-12-15-24(16-13-17)29(27,28)21-10-8-20(9-11-21)23(26)25-14-4-7-19-6-3-5-18(2)22(19)25/h3,5-6,8-11,17H,4,7,12-16H2,1-2H3.
What are the key properties of (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone?
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 412.56 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 55481052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).