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

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Related Compounds

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N-phenylquinazolin-4-amine
CID 71690580
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
ethyl 4-[4-(4-methoxyanilino)quinazolin-2-yl]piperazine-1-carboxylate
CID 71691224
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962
N-(4-methylphenyl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17016838
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 91966252

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).