N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide

C24H30N4O3S — CID 57399089

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C24H30N4O3S/c1-31-24-11-5-4-10-23(24)28-16-14-27(15-17-28)13-7-6-12-26-32(29,30)21-18-20-8-2-3-9-22(20)25-19-21/h2-5,8-11,18-19,26H,6-7,12-17H2,1H3
InChIKeyYXGNZNUIQKPQTR-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.12
Rot. Bonds9

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide (PubChem CID 57399089) 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-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide
PubChem CID57399089
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C24H30N4O3S/c1-31-24-11-5-4-10-23(24)28-16-14-27(15-17-28)13-7-6-12-26-32(29,30)21-18-20-8-2-3-9-22(20)25-19-21/h2-5,8-11,18-19,26H,6-7,12-17H2,1H3
InChIKeyYXGNZNUIQKPQTR-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
4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
CID 25189510
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 58441681
2,4-difluoro-N-[5-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74539862
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,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide (CID 57399089) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide is COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cnc3ccccc3c2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide?
The InChIKey is YXGNZNUIQKPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-31-24-11-5-4-10-23(24)28-16-14-27(15-17-28)13-7-6-12-26-32(29,30)21-18-20-8-2-3-9-22(20)25-19-21/h2-5,8-11,18-19,26H,6-7,12-17H2,1H3.
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-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-3-sulfonamide is sourced from PubChem (CID 57399089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).