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

C26H34N4O3S — CID 57392108

IUPACN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide
SMILESCCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C26H34N4O3S/c1-3-30(34(31,32)23-20-22-10-4-5-11-24(22)27-21-23)15-9-8-14-28-16-18-29(19-17-28)25-12-6-7-13-26(25)33-2/h4-7,10-13,20-21H,3,8-9,14-19H2,1-2H3
InChIKeyAUZMXOIRKFWNQJ-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.86
Rot. Bonds10

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

N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide (PubChem CID 57392108) 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-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide
PubChem CID57392108
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC NameN-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide
SMILESCCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C26H34N4O3S/c1-3-30(34(31,32)23-20-22-10-4-5-11-24(22)27-21-23)15-9-8-14-28-16-18-29(19-17-28)25-12-6-7-13-26(25)33-2/h4-7,10-13,20-21H,3,8-9,14-19H2,1-2H3
InChIKeyAUZMXOIRKFWNQJ-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-3-sulfonamide?
The IUPAC name of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide (CID 57392108) is N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide?
The canonical SMILES for N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide is CCN(CCCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1cnc2ccccc2c1.
What is the InChIKey of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide?
The InChIKey is AUZMXOIRKFWNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-3-30(34(31,32)23-20-22-10-4-5-11-24(22)27-21-23)15-9-8-14-28-16-18-29(19-17-28)25-12-6-7-13-26(25)33-2/h4-7,10-13,20-21H,3,8-9,14-19H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide?
N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-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-3-sulfonamide is sourced from PubChem (CID 57392108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).