4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline

C19H19ClN4 — CID 20922972

IUPAC4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline
SMILESClc1cccc2c(N3CCN(Cc4ccccc4)CC3)cnnc12
InChIInChI=1S/C19H19ClN4/c20-17-8-4-7-16-18(13-21-22-19(16)17)24-11-9-23(10-12-24)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyOHEVLJQPROKINN-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline

4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline (PubChem CID 20922972) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline
PubChem CID20922972
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline
SMILESClc1cccc2c(N3CCN(Cc4ccccc4)CC3)cnnc12
InChIInChI=1S/C19H19ClN4/c20-17-8-4-7-16-18(13-21-22-19(16)17)24-11-9-23(10-12-24)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyOHEVLJQPROKINN-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline 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 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline (CID 20922972) is 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline is Clc1cccc2c(N3CCN(Cc4ccccc4)CC3)cnnc12.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline?
The InChIKey is OHEVLJQPROKINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-17-8-4-7-16-18(13-21-22-19(16)17)24-11-9-23(10-12-24)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline?
4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline has a molecular weight of 338.84 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-8-chlorocinnoline is sourced from PubChem (CID 20922972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).