2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

C23H25N3O2S — CID 67552359

IUPAC2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc(N2CCNCC2)c2ccccc12)C1CCc2ccccc2N1
InChIInChI=1S/C23H25N3O2S/c27-29(28,23-12-9-17-5-1-4-8-20(17)25-23)22-11-10-21(26-15-13-24-14-16-26)18-6-2-3-7-19(18)22/h1-8,10-11,23-25H,9,12-16H2
InChIKeyTXXZBBLFASGHFT-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.41
Rot. Bonds3

About 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline

2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 67552359) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID67552359
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc(N2CCNCC2)c2ccccc12)C1CCc2ccccc2N1
InChIInChI=1S/C23H25N3O2S/c27-29(28,23-12-9-17-5-1-4-8-20(17)25-23)22-11-10-21(26-15-13-24-14-16-26)18-6-2-3-7-19(18)22/h1-8,10-11,23-25H,9,12-16H2
InChIKeyTXXZBBLFASGHFT-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline 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 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline (CID 67552359) is 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is O=S(=O)(c1ccc(N2CCNCC2)c2ccccc12)C1CCc2ccccc2N1.
What is the InChIKey of 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is TXXZBBLFASGHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-29(28,23-12-9-17-5-1-4-8-20(17)25-23)22-11-10-21(26-15-13-24-14-16-26)18-6-2-3-7-19(18)22/h1-8,10-11,23-25H,9,12-16H2.
What are the key properties of 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline?
2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 407.54 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylnaphthalen-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 67552359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).