1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione

C22H22N4O4 — CID 24545134

IUPAC1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O4/c27-19(10-11-26-18-9-5-4-8-17(18)20(28)23-22(26)30)24-12-14-25(15-13-24)21(29)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28,30)
InChIKeySZKKNXLPHPFOIU-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.06
Rot. Bonds4

About 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione

1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione (PubChem CID 24545134) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
PubChem CID24545134
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O4/c27-19(10-11-26-18-9-5-4-8-17(18)20(28)23-22(26)30)24-12-14-25(15-13-24)21(29)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28,30)
InChIKeySZKKNXLPHPFOIU-UHFFFAOYSA-N
XLogP1.06
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 41310154
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 25398527
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256924
1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 119623359
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801
1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-[3-[(3S,5R)-3-fluoro-5-hydroxypiperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 167763098
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The IUPAC name of 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione (CID 24545134) is 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
The InChIKey is SZKKNXLPHPFOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-19(10-11-26-18-9-5-4-8-17(18)20(28)23-22(26)30)24-12-14-25(15-13-24)21(29)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28,30).
What are the key properties of 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione?
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione has a molecular weight of 406.44 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione is sourced from PubChem (CID 24545134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).