N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide

C24H30N4O3S — CID 57392107

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-31-22-11-3-2-10-21(22)28-18-16-27(17-19-28)15-5-4-14-26-32(29,30)23-12-6-8-20-9-7-13-25-24(20)23/h2-3,6-13,26H,4-5,14-19H2,1H3
InChIKeyOVPJHYYRCSOARR-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.12
Rot. Bonds9

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide (PubChem CID 57392107) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide
PubChem CID57392107
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H30N4O3S/c1-31-22-11-3-2-10-21(22)28-18-16-27(17-19-28)15-5-4-14-26-32(29,30)23-12-6-8-20-9-7-13-25-24(20)23/h2-3,6-13,26H,4-5,14-19H2,1H3
InChIKeyOVPJHYYRCSOARR-UHFFFAOYSA-N
XLogP3.12
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173771
5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173792
US9663498, Example 23
CID 118181441
3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(piperazin-1-yl) phenyl)sulfonyl)-1H-indole
CID 118181454
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
8-Ethoxy-5-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 3241187
N-(5-indol-1-ylsulfonyl-2-methoxyphenyl)-1-methylpiperidin-4-amine
CID 16113555

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide (CID 57392107) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide is COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
The InChIKey is OVPJHYYRCSOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-31-22-11-3-2-10-21(22)28-18-16-27(17-19-28)15-5-4-14-26-32(29,30)23-12-6-8-20-9-7-13-25-24(20)23/h2-3,6-13,26H,4-5,14-19H2,1H3.
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide has a molecular weight of 454.60 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide is sourced from PubChem (CID 57392107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).