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

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137261639
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137264219
N-(4-chlorophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)piperazin-1-yl]acetamide
CID 137275978
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
CID 136673956
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136923002
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-(3-oxo-4-propyl-1,4-diazepan-1-yl)-3H-quinazolin-4-one
CID 137269546
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
CID 137264350

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).