2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one

C14H19N5O — CID 136923010

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESNCCN1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C14H19N5O/c15-5-6-18-7-9-19(10-8-18)14-16-12-4-2-1-3-11(12)13(20)17-14/h1-4H,5-10,15H2,(H,16,17,20)
InChIKeyWDXCUAYNVRZXLW-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.00
Rot. Bonds3

About 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one

2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 136923010) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID136923010
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESNCCN1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C14H19N5O/c15-5-6-18-7-9-19(10-8-18)14-16-12-4-2-1-3-11(12)13(20)17-14/h1-4H,5-10,15H2,(H,16,17,20)
InChIKeyWDXCUAYNVRZXLW-UHFFFAOYSA-N
XLogP0.00
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one 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-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one (CID 136923010) is 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one is NCCN1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is WDXCUAYNVRZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-5-6-18-7-9-19(10-8-18)14-16-12-4-2-1-3-11(12)13(20)17-14/h1-4H,5-10,15H2,(H,16,17,20).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136923010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).