2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol

C25H24N4O — CID 661964

IUPAC2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C25H24N4O/c30-23-13-7-5-11-21(23)24-26-22-12-6-4-10-20(22)25(27-24)29-16-14-28(15-17-29)18-19-8-2-1-3-9-19/h1-13,30H,14-18H2
InChIKeyXVVUHZORNXTAFG-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.32
Rot. Bonds4

About 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol

2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol (PubChem CID 661964) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol
PubChem CID661964
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C25H24N4O/c30-23-13-7-5-11-21(23)24-26-22-12-6-4-10-20(22)25(27-24)29-16-14-28(15-17-29)18-19-8-2-1-3-9-19/h1-13,30H,14-18H2
InChIKeyXVVUHZORNXTAFG-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol (CID 661964) is 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is XVVUHZORNXTAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-23-13-7-5-11-21(23)24-26-22-12-6-4-10-20(22)25(27-24)29-16-14-28(15-17-29)18-19-8-2-1-3-9-19/h1-13,30H,14-18H2.
What are the key properties of 2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol?
2-[4-(4-benzylpiperazin-1-yl)quinazolin-2-yl]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-(4-benzylpiperazin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 661964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).