2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol

C22H25N3O4S — CID 23892291

IUPAC2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccc(OCCO)cc2)CC1
InChIInChI=1S/C22H25N3O4S/c26-15-16-29-20-8-6-18(7-9-20)17-24-11-13-25(14-12-24)30(27,28)21-5-1-3-19-4-2-10-23-22(19)21/h1-10,26H,11-17H2
InChIKeyUPBSCVZPBMPISZ-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.11
Rot. Bonds7

About 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol

2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol (PubChem CID 23892291) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol
PubChem CID23892291
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccc(OCCO)cc2)CC1
InChIInChI=1S/C22H25N3O4S/c26-15-16-29-20-8-6-18(7-9-20)17-24-11-13-25(14-12-24)30(27,28)21-5-1-3-19-4-2-10-23-22(19)21/h1-10,26H,11-17H2
InChIKeyUPBSCVZPBMPISZ-UHFFFAOYSA-N
XLogP2.11
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-5-methyl-N-(quinolin-3-yl)benzenesulfonamide
CID 24178213
N-[4-[2-[[(2S)-2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-3-quinolinesulfonamide
CID 44268268
Quinoline-3-sulfonic acid (4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-amide
CID 44307378
4-[[6-(4-Carbamimidoylphenoxy)-5-(quinolin-8-ylsulfonylamino)-2-pyridinyl]oxy]benzenecarboximidamide
CID 49820501
N-[(2,2-dimethylpyrano[3,2-b]pyridin-6-yl)methyl]-N-phenylquinoline-8-sulfonamide
CID 56926475
N-(2-hydroxyethyl)-3-[8-[4-(trifluoromethoxy)phenyl]-1,5-naphthyridin-2-yl]benzenesulfonamide
CID 145960666
N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-8-sulfonamide
CID 2053792
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5308667
8-{[4-(3-Methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 16194073
(6Z)-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1-quinolin-8-ylsulfonyl-5,8-dihydro-2H-1,4-diazocin-3-one
CID 16746453
[4-(4-Methoxybenzyl)-1-(8-quinolinylsulfonyl)-4-piperidinyl]methanol
CID 23723872
N-(Cyclohexylmethyl)-N-[3-(4-(2-methoxyphenyl)-piperazin-1-yl)-propyl]quinoline-8-sulfonamide
CID 46232689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol (CID 23892291) is 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol is O=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccc(OCCO)cc2)CC1.
What is the InChIKey of 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol?
The InChIKey is UPBSCVZPBMPISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-15-16-29-20-8-6-18(7-9-20)17-24-11-13-25(14-12-24)30(27,28)21-5-1-3-19-4-2-10-23-22(19)21/h1-10,26H,11-17H2.
What are the key properties of 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol?
2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol has a molecular weight of 427.53 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methyl]phenoxy]ethanol is sourced from PubChem (CID 23892291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).