3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one

C25H24N4O — CID 5307901

IUPAC3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1
InChIInChI=1S/C25H24N4O/c30-24-22-13-7-8-14-23(22)26-25(29(24)19-20-9-3-1-4-10-20)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyJOABREFNWOBFQX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.77
Rot. Bonds4

About 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one

3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one (PubChem CID 5307901) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
PubChem CID5307901
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1
InChIInChI=1S/C25H24N4O/c30-24-22-13-7-8-14-23(22)26-25(29(24)19-20-9-3-1-4-10-20)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-14H,15-19H2
InChIKeyJOABREFNWOBFQX-UHFFFAOYSA-N
XLogP3.77
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
The IUPAC name of 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one (CID 5307901) is 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one is O=c1c2ccccc2nc(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
The InChIKey is JOABREFNWOBFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-24-22-13-7-8-14-23(22)26-25(29(24)19-20-9-3-1-4-10-20)28-17-15-27(16-18-28)21-11-5-2-6-12-21/h1-14H,15-19H2.
What are the key properties of 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one?
3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one has a molecular weight of 396.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-phenylpiperazin-1-yl)quinazolin-4-one is sourced from PubChem (CID 5307901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).