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

C26H34N4O3S — CID 57395599

IUPACN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide
SMILESCCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H34N4O3S/c1-3-30(34(31,32)25-14-8-10-22-11-9-15-27-26(22)25)17-7-6-16-28-18-20-29(21-19-28)23-12-4-5-13-24(23)33-2/h4-5,8-15H,3,6-7,16-21H2,1-2H3
InChIKeyPYULINZOPSSUSX-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.86
Rot. Bonds10

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

N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide (PubChem CID 57395599) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide
PubChem CID57395599
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC NameN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide
SMILESCCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H34N4O3S/c1-3-30(34(31,32)25-14-8-10-22-11-9-15-27-26(22)25)17-7-6-16-28-18-20-29(21-19-28)23-12-4-5-13-24(23)33-2/h4-5,8-15H,3,6-7,16-21H2,1-2H3
InChIKeyPYULINZOPSSUSX-UHFFFAOYSA-N
XLogP3.86
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
The IUPAC name of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide (CID 57395599) is N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
The canonical SMILES for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide is CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
The InChIKey is PYULINZOPSSUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)25-14-8-10-22-11-9-15-27-26(22)25)17-7-6-16-28-18-20-29(21-19-28)23-12-4-5-13-24(23)33-2/h4-5,8-15H,3,6-7,16-21H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide?
N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide has a molecular weight of 482.65 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide is sourced from PubChem (CID 57395599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).