3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one

C25H28N4O2 — CID 71704392

IUPAC3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one
SMILESO=C(CCCn1cnc2ccccc2c1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c30-24(13-7-15-29-20-26-23-12-5-4-11-22(23)25(29)31)28-18-16-27(17-19-28)14-6-10-21-8-2-1-3-9-21/h1-6,8-12,20H,7,13-19H2/b10-6+
InChIKeyUINZOZDAGDZJGM-UXBLZVDNSA-N
MW416.53 g/mol
LogP3.03
Rot. Bonds7

About 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one

3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one (PubChem CID 71704392) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one
PubChem CID71704392
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one
SMILESO=C(CCCn1cnc2ccccc2c1=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c30-24(13-7-15-29-20-26-23-12-5-4-11-22(23)25(29)31)28-18-16-27(17-19-28)14-6-10-21-8-2-1-3-9-21/h1-6,8-12,20H,7,13-19H2/b10-6+
InChIKeyUINZOZDAGDZJGM-UXBLZVDNSA-N
XLogP3.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one with MolForge

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Related Compounds

3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
6,7-dimethoxy-3-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 45495446
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
3-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]quinazolin-4-one
CID 35383754
3-[4-oxo-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]butyl]quinazolin-4-one
CID 30874398
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[6-(4-benzylpiperazin-4-ium-1-yl)-6-oxohexyl]quinazolin-4-one
CID 7632354
3-[6-[4-(4-chlorophenyl)piperazin-1-yl]-6-oxohexyl]quinazolin-4-one
CID 39337926
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[4-oxo-4-[(3R)-3-phenoxypyrrolidin-1-yl]butyl]quinazolin-4-one
CID 126426727

Frequently Asked Questions

What is the IUPAC name of 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one?
The IUPAC name of 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one (CID 71704392) is 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one?
The canonical SMILES for 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one is O=C(CCCn1cnc2ccccc2c1=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one?
The InChIKey is UINZOZDAGDZJGM-UXBLZVDNSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(13-7-15-29-20-26-23-12-5-4-11-22(23)25(29)31)28-18-16-27(17-19-28)14-6-10-21-8-2-1-3-9-21/h1-6,8-12,20H,7,13-19H2/b10-6+.
What are the key properties of 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one?
3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one has a molecular weight of 416.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butyl]quinazolin-4-one is sourced from PubChem (CID 71704392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).