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

C24H21FN4 — CID 1068346

IUPAC2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline
SMILESFc1ccccc1-c1nc(N2CCN(c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C24H21FN4/c25-21-12-6-4-10-19(21)23-26-22-13-7-5-11-20(22)24(27-23)29-16-14-28(15-17-29)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyRHWPOMMEZPJCJP-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.76
Rot. Bonds3

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

2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline (PubChem CID 1068346) has the molecular formula C24H21FN4 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline
PubChem CID1068346
Molecular FormulaC24H21FN4
Molecular Weight384.46 g/mol
Exact Mass384.18
IUPAC Name2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline
SMILESFc1ccccc1-c1nc(N2CCN(c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C24H21FN4/c25-21-12-6-4-10-19(21)23-26-22-13-7-5-11-20(22)24(27-23)29-16-14-28(15-17-29)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyRHWPOMMEZPJCJP-UHFFFAOYSA-N
XLogP4.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline?
The IUPAC name of 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline (CID 1068346) is 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline?
The canonical SMILES for 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline is Fc1ccccc1-c1nc(N2CCN(c3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline?
The InChIKey is RHWPOMMEZPJCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4/c25-21-12-6-4-10-19(21)23-26-22-13-7-5-11-20(22)24(27-23)29-16-14-28(15-17-29)18-8-2-1-3-9-18/h1-13H,14-17H2.
What are the key properties of 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline?
2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline has a molecular weight of 384.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(4-phenylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 1068346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).