N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C25H32N6 — CID 71528457

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C25H32N6/c1-29-15-17-31(18-16-29)25-27-23-10-6-5-9-22(23)24(28-25)26-21-11-13-30(14-12-21)19-20-7-3-2-4-8-20/h2-10,21H,11-19H2,1H3,(H,26,27,28)
InChIKeyJMQYVDHKMIHOPA-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.46
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 71528457) has the molecular formula C25H32N6 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID71528457
Molecular FormulaC25H32N6
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C25H32N6/c1-29-15-17-31(18-16-29)25-27-23-10-6-5-9-22(23)24(28-25)26-21-11-13-30(14-12-21)19-20-7-3-2-4-8-20/h2-10,21H,11-19H2,1H3,(H,26,27,28)
InChIKeyJMQYVDHKMIHOPA-UHFFFAOYSA-N
XLogP3.46
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine 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 N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 71528457) is N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is CN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is JMQYVDHKMIHOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6/c1-29-15-17-31(18-16-29)25-27-23-10-6-5-9-22(23)24(28-25)26-21-11-13-30(14-12-21)19-20-7-3-2-4-8-20/h2-10,21H,11-19H2,1H3,(H,26,27,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 416.57 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71528457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).