[4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol

C23H26N2O4S — CID 23723872

IUPAC[4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-29-20-9-7-18(8-10-20)16-23(17-26)11-14-25(15-12-23)30(27,28)21-6-2-4-19-5-3-13-24-22(19)21/h2-10,13,26H,11-12,14-17H2,1H3
InChIKeyYFEFPUDSEDOFMR-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.25
Rot. Bonds6

About [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol

[4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol (PubChem CID 23723872) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol
PubChem CID23723872
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name[4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol
SMILESCOc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C23H26N2O4S/c1-29-20-9-7-18(8-10-20)16-23(17-26)11-14-25(15-12-23)30(27,28)21-6-2-4-19-5-3-13-24-22(19)21/h2-10,13,26H,11-12,14-17H2,1H3
InChIKeyYFEFPUDSEDOFMR-UHFFFAOYSA-N
XLogP3.25
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol (CID 23723872) is [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol is COc1ccc(CC2(CO)CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol?
The InChIKey is YFEFPUDSEDOFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-29-20-9-7-18(8-10-20)16-23(17-26)11-14-25(15-12-23)30(27,28)21-6-2-4-19-5-3-13-24-22(19)21/h2-10,13,26H,11-12,14-17H2,1H3.
What are the key properties of [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol?
[4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol has a molecular weight of 426.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 23723872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).