3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide

C23H28N4O2S — CID 42960750

IUPAC3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC(C)N3CCN(c4ccccc4)CC3)cccc2c1
InChIInChI=1S/C23H28N4O2S/c1-18-15-20-7-6-10-22(23(20)24-16-18)30(28,29)25-17-19(2)26-11-13-27(14-12-26)21-8-4-3-5-9-21/h3-10,15-16,19,25H,11-14,17H2,1-2H3
InChIKeyGSEXEZNQSGSTFS-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.03
Rot. Bonds6

About 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide

3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide (PubChem CID 42960750) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
PubChem CID42960750
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC(C)N3CCN(c4ccccc4)CC3)cccc2c1
InChIInChI=1S/C23H28N4O2S/c1-18-15-20-7-6-10-22(23(20)24-16-18)30(28,29)25-17-19(2)26-11-13-27(14-12-26)21-8-4-3-5-9-21/h3-10,15-16,19,25H,11-14,17H2,1-2H3
InChIKeyGSEXEZNQSGSTFS-UHFFFAOYSA-N
XLogP3.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide (CID 42960750) is 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCC(C)N3CCN(c4ccccc4)CC3)cccc2c1.
What is the InChIKey of 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide?
The InChIKey is GSEXEZNQSGSTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-18-15-20-7-6-10-22(23(20)24-16-18)30(28,29)25-17-19(2)26-11-13-27(14-12-26)21-8-4-3-5-9-21/h3-10,15-16,19,25H,11-14,17H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide?
3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide has a molecular weight of 424.57 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide is sourced from PubChem (CID 42960750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).