2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

C17H19ClN6 — CID 16812276

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C17H18N6.ClH/c18-16-13-5-1-2-6-14(13)20-17(21-16)23-11-9-22(10-12-23)15-7-3-4-8-19-15;/h1-8H,9-12H2,(H2,18,20,21);1H
InChIKeyJUWCJRLHVSUDDH-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.36
Rot. Bonds2

About 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (PubChem CID 16812276) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
PubChem CID16812276
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C17H18N6.ClH/c18-16-13-5-1-2-6-14(13)20-17(21-16)23-11-9-22(10-12-23)15-7-3-4-8-19-15;/h1-8H,9-12H2,(H2,18,20,21);1H
InChIKeyJUWCJRLHVSUDDH-UHFFFAOYSA-N
XLogP2.36
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;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 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (CID 16812276) is 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is Cl.Nc1nc(N2CCN(c3ccccn3)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is JUWCJRLHVSUDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6.ClH/c18-16-13-5-1-2-6-14(13)20-17(21-16)23-11-9-22(10-12-23)15-7-3-4-8-19-15;/h1-8H,9-12H2,(H2,18,20,21);1H.
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 16812276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).