8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

C20H21N3O3S — CID 1414417

IUPAC8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H21N3O3S/c1-26-18-9-3-2-8-17(18)22-12-14-23(15-13-22)27(24,25)19-10-4-6-16-7-5-11-21-20(16)19/h2-11H,12-15H2,1H3
InChIKeyAPHFPWSPWDRGRT-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.75
Rot. Bonds4

About 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (PubChem CID 1414417) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
PubChem CID1414417
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H21N3O3S/c1-26-18-9-3-2-8-17(18)22-12-14-23(15-13-22)27(24,25)19-10-4-6-16-7-5-11-21-20(16)19/h2-11H,12-15H2,1H3
InChIKeyAPHFPWSPWDRGRT-UHFFFAOYSA-N
XLogP2.75
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide
CID 2931238
6-Chloro-8-piperazin-1-yl-4-quinolin-8-ylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 20765664
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide
CID 1266532
8-Ethoxy-5-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 3241187
1-(4-Methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10069527
N-(5-indol-1-ylsulfonyl-2-methoxyphenyl)-1-methylpiperidin-4-amine
CID 16113555
2-Methoxy-5-methyl-N-(quinolin-3-yl)benzenesulfonamide
CID 24178213
1-(4-Methoxyphenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965681

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (CID 1414417) is 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is COc1ccccc1N1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is APHFPWSPWDRGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-18-9-3-2-8-17(18)22-12-14-23(15-13-22)27(24,25)19-10-4-6-16-7-5-11-21-20(16)19/h2-11H,12-15H2,1H3.
What are the key properties of 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 383.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 1414417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).