N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide

C23H28N4O3S — CID 57399090

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-30-23-8-3-2-7-22(23)27-16-14-26(15-17-27)13-5-12-25-31(28,29)20-9-10-21-19(18-20)6-4-11-24-21/h2-4,6-11,18,25H,5,12-17H2,1H3
InChIKeyYXULGEGYBDDAJU-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.73
Rot. Bonds8

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide (PubChem CID 57399090) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide
PubChem CID57399090
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-30-23-8-3-2-7-22(23)27-16-14-26(15-17-27)13-5-12-25-31(28,29)20-9-10-21-19(18-20)6-4-11-24-21/h2-4,6-11,18,25H,5,12-17H2,1H3
InChIKeyYXULGEGYBDDAJU-UHFFFAOYSA-N
XLogP2.73
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.73
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-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
N-[5-(5-fluoro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451924
N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71451926
N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
CID 71453737

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide (CID 57399090) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide is COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ncccc3c2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
The InChIKey is YXULGEGYBDDAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-30-23-8-3-2-7-22(23)27-16-14-26(15-17-27)13-5-12-25-31(28,29)20-9-10-21-19(18-20)6-4-11-24-21/h2-4,6-11,18,25H,5,12-17H2,1H3.
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide has a molecular weight of 440.57 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide is sourced from PubChem (CID 57399090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).