4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline

C25H23FN4 — CID 1213845

IUPAC4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline
SMILESFc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C25H23FN4/c26-22-12-6-4-10-20(22)24-27-23-13-7-5-11-21(23)25(28-24)30-16-14-29(15-17-30)18-19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyQYHBYHLILDBRAT-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline

4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline (PubChem CID 1213845) has the molecular formula C25H23FN4 and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline
PubChem CID1213845
Molecular FormulaC25H23FN4
Molecular Weight398.49 g/mol
Exact Mass398.19
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline
SMILESFc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C25H23FN4/c26-22-12-6-4-10-20(22)24-27-23-13-7-5-11-21(23)25(28-24)30-16-14-29(15-17-30)18-19-8-2-1-3-9-19/h1-13H,14-18H2
InChIKeyQYHBYHLILDBRAT-UHFFFAOYSA-N
XLogP4.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline (CID 1213845) is 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline is Fc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline?
The InChIKey is QYHBYHLILDBRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4/c26-22-12-6-4-10-20(22)24-27-23-13-7-5-11-21(23)25(28-24)30-16-14-29(15-17-30)18-19-8-2-1-3-9-19/h1-13H,14-18H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline?
4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline has a molecular weight of 398.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-(2-fluorophenyl)quinazoline is sourced from PubChem (CID 1213845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).