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

C21H25N5 — CID 2976210

IUPACN-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
SMILESCCN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H25N5/c1-2-25-12-14-26(15-13-25)21-23-19-11-7-6-10-18(19)20(24-21)22-16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,23,24)
InChIKeySNYUEDDHNLETAT-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.38
Rot. Bonds5

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

N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 2976210) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
PubChem CID2976210
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
SMILESCCN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C21H25N5/c1-2-25-12-14-26(15-13-25)21-23-19-11-7-6-10-18(19)20(24-21)22-16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,23,24)
InChIKeySNYUEDDHNLETAT-UHFFFAOYSA-N
XLogP3.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine (CID 2976210) is N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine is CCN1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is SNYUEDDHNLETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-2-25-12-14-26(15-13-25)21-23-19-11-7-6-10-18(19)20(24-21)22-16-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,22,23,24).
What are the key properties of N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine?
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 2976210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).