2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine

C21H25N5 — CID 71690658

IUPAC2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
SMILESCCN1CCN(c2nc(Nc3ccc(C)cc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H25N5/c1-3-25-12-14-26(15-13-25)21-23-19-7-5-4-6-18(19)20(24-21)22-17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3,(H,22,23,24)
InChIKeyGYUUSURIARXOTI-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine

2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine (PubChem CID 71690658) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
PubChem CID71690658
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
SMILESCCN1CCN(c2nc(Nc3ccc(C)cc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H25N5/c1-3-25-12-14-26(15-13-25)21-23-19-7-5-4-6-18(19)20(24-21)22-17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3,(H,22,23,24)
InChIKeyGYUUSURIARXOTI-UHFFFAOYSA-N
XLogP3.82
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)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 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine (CID 71690658) is 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine is CCN1CCN(c2nc(Nc3ccc(C)cc3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine?
The InChIKey is GYUUSURIARXOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-3-25-12-14-26(15-13-25)21-23-19-7-5-4-6-18(19)20(24-21)22-17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine?
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 71690658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).