4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride

C20H22ClN3O — CID 70499032

IUPAC4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride
SMILESCl.O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C20H21N3O.ClH/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16;/h1-9,14H,10-13,15H2,(H,21,24);1H
InChIKeyZHQAWAQHSZAKMW-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.27
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride

4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride (PubChem CID 70499032) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride
PubChem CID70499032
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride
SMILESCl.O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1
InChIInChI=1S/C20H21N3O.ClH/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16;/h1-9,14H,10-13,15H2,(H,21,24);1H
InChIKeyZHQAWAQHSZAKMW-UHFFFAOYSA-N
XLogP3.27
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride 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)-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride (CID 70499032) is 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride is Cl.O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2[nH]1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride?
The InChIKey is ZHQAWAQHSZAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.ClH/c24-20-14-19(17-8-4-5-9-18(17)21-20)23-12-10-22(11-13-23)15-16-6-2-1-3-7-16;/h1-9,14H,10-13,15H2,(H,21,24);1H.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride?
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 70499032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).