2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol

C25H24N4O — CID 71508230

IUPAC2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C25H24N4O/c30-23-13-7-4-10-20(23)18-28-14-16-29(17-15-28)25-21-11-5-6-12-22(21)26-24(27-25)19-8-2-1-3-9-19/h1-13,30H,14-18H2
InChIKeyVVGLTCJXKALBSL-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.32
Rot. Bonds4

About 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol

2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol (PubChem CID 71508230) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol
PubChem CID71508230
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol
SMILESOc1ccccc1CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C25H24N4O/c30-23-13-7-4-10-20(23)18-28-14-16-29(17-15-28)25-21-11-5-6-12-22(21)26-24(27-25)19-8-2-1-3-9-19/h1-13,30H,14-18H2
InChIKeyVVGLTCJXKALBSL-UHFFFAOYSA-N
XLogP4.32
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol (CID 71508230) is 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol is Oc1ccccc1CN1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol?
The InChIKey is VVGLTCJXKALBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-23-13-7-4-10-20(23)18-28-14-16-29(17-15-28)25-21-11-5-6-12-22(21)26-24(27-25)19-8-2-1-3-9-19/h1-13,30H,14-18H2.
What are the key properties of 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol?
2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol has a molecular weight of 396.49 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 71508230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).