3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride

C15H19ClN4O2 — CID 119402237

IUPAC3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
SMILESCl.O=C(CCn1cnc2ccccc2c1=O)N1CCNCC1
InChIInChI=1S/C15H18N4O2.ClH/c20-14(18-9-6-16-7-10-18)5-8-19-11-17-13-4-2-1-3-12(13)15(19)21;/h1-4,11,16H,5-10H2;1H
InChIKeyHDPCCHFEGHGZJQ-UHFFFAOYSA-N
MW322.80 g/mol
LogP0.64
Rot. Bonds3

About 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride

3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride (PubChem CID 119402237) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
PubChem CID119402237
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
SMILESCl.O=C(CCn1cnc2ccccc2c1=O)N1CCNCC1
InChIInChI=1S/C15H18N4O2.ClH/c20-14(18-9-6-16-7-10-18)5-8-19-11-17-13-4-2-1-3-12(13)15(19)21;/h1-4,11,16H,5-10H2;1H
InChIKeyHDPCCHFEGHGZJQ-UHFFFAOYSA-N
XLogP0.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119578876
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
3-(3-oxo-3-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 62047764
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119623819
3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119416183
3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90506363
3-[3-(3-hydroxy-3-phenylpyrrolidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 91777595
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride?
The IUPAC name of 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride (CID 119402237) is 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride?
The canonical SMILES for 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride is Cl.O=C(CCn1cnc2ccccc2c1=O)N1CCNCC1.
What is the InChIKey of 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride?
The InChIKey is HDPCCHFEGHGZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c20-14(18-9-6-16-7-10-18)5-8-19-11-17-13-4-2-1-3-12(13)15(19)21;/h1-4,11,16H,5-10H2;1H.
What are the key properties of 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride?
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride is sourced from PubChem (CID 119402237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).