3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one

C23H26N4O2 — CID 4975827

IUPAC3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one
SMILESCCC(C(=O)N1CCN(Cc2ccccc2)CC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C23H26N4O2/c1-2-21(27-17-24-20-11-7-6-10-19(20)22(27)28)23(29)26-14-12-25(13-15-26)16-18-8-4-3-5-9-18/h3-11,17,21H,2,12-16H2,1H3
InChIKeyJFZFZPGYXSQNKZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.69
Rot. Bonds5

About 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one

3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one (PubChem CID 4975827) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one
PubChem CID4975827
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one
SMILESCCC(C(=O)N1CCN(Cc2ccccc2)CC1)n1cnc2ccccc2c1=O
InChIInChI=1S/C23H26N4O2/c1-2-21(27-17-24-20-11-7-6-10-19(20)22(27)28)23(29)26-14-12-25(13-15-26)16-18-8-4-3-5-9-18/h3-11,17,21H,2,12-16H2,1H3
InChIKeyJFZFZPGYXSQNKZ-UHFFFAOYSA-N
XLogP2.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]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 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one (CID 4975827) is 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one is CCC(C(=O)N1CCN(Cc2ccccc2)CC1)n1cnc2ccccc2c1=O.
What is the InChIKey of 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one?
The InChIKey is JFZFZPGYXSQNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-21(27-17-24-20-11-7-6-10-19(20)22(27)28)23(29)26-14-12-25(13-15-26)16-18-8-4-3-5-9-18/h3-11,17,21H,2,12-16H2,1H3.
What are the key properties of 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one?
3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one has a molecular weight of 390.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]quinazolin-4-one is sourced from PubChem (CID 4975827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).