[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone

C21H24N2O4S — CID 39959602

IUPAC[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCC(O)CC1
InChIInChI=1S/C21H24N2O4S/c24-18-11-14-22(15-12-18)21(25)17-7-9-19(10-8-17)28(26,27)23-13-3-5-16-4-1-2-6-20(16)23/h1-2,4,6-10,18,24H,3,5,11-15H2
InChIKeyXMMVPUQBNKZWHQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.42
Rot. Bonds3

About [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone

[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 39959602) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID39959602
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCC(O)CC1
InChIInChI=1S/C21H24N2O4S/c24-18-11-14-22(15-12-18)21(25)17-7-9-19(10-8-17)28(26,27)23-13-3-5-16-4-1-2-6-20(16)23/h1-2,4,6-10,18,24H,3,5,11-15H2
InChIKeyXMMVPUQBNKZWHQ-UHFFFAOYSA-N
XLogP2.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1169483
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
[(1R)-2-oxocyclohexyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2404125
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 55539295
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
cyanomethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3487465
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 24981846
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
(2S)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]oxolane-2-carboxamide
CID 1246029
(2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3961029
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 39959602) is [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CCC(O)CC1.
What is the InChIKey of [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is XMMVPUQBNKZWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-18-11-14-22(15-12-18)21(25)17-7-9-19(10-8-17)28(26,27)23-13-3-5-16-4-1-2-6-20(16)23/h1-2,4,6-10,18,24H,3,5,11-15H2.
What are the key properties of [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 400.50 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 39959602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).