1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

C21H20N4O2S — CID 90469046

IUPAC1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H20N4O2S/c26-28(27,16-6-2-1-3-7-16)25-13-10-18-20(25)17-8-4-5-9-19(17)23-21(18)24-14-11-22-12-15-24/h1-10,13,22H,11-12,14-15H2
InChIKeyUHABTHCQCIQHSP-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.84
Rot. Bonds3

About 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469046) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469046
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H20N4O2S/c26-28(27,16-6-2-1-3-7-16)25-13-10-18-20(25)17-8-4-5-9-19(17)23-21(18)24-14-11-22-12-15-24/h1-10,13,22H,11-12,14-15H2
InChIKeyUHABTHCQCIQHSP-UHFFFAOYSA-N
XLogP2.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline 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 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469046) is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is UHABTHCQCIQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-28(27,16-6-2-1-3-7-16)25-13-10-18-20(25)17-8-4-5-9-19(17)23-21(18)24-14-11-22-12-15-24/h1-10,13,22H,11-12,14-15H2.
What are the key properties of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 392.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).