6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline

C18H16BrFN4 — CID 87020702

IUPAC6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline
SMILESFc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C18H16BrFN4/c19-13-1-6-17-16(11-13)18(22-12-21-17)24-9-7-23(8-10-24)15-4-2-14(20)3-5-15/h1-6,11-12H,7-10H2
InChIKeyASSVOHOYWAMOEA-UHFFFAOYSA-N
MW387.26 g/mol
LogP3.86
Rot. Bonds2

About 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline

6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline (PubChem CID 87020702) has the molecular formula C18H16BrFN4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline
PubChem CID87020702
Molecular FormulaC18H16BrFN4
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline
SMILESFc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1
InChIInChI=1S/C18H16BrFN4/c19-13-1-6-17-16(11-13)18(22-12-21-17)24-9-7-23(8-10-24)15-4-2-14(20)3-5-15/h1-6,11-12H,7-10H2
InChIKeyASSVOHOYWAMOEA-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline (CID 87020702) is 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline is Fc1ccc(N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1.
What is the InChIKey of 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline?
The InChIKey is ASSVOHOYWAMOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4/c19-13-1-6-17-16(11-13)18(22-12-21-17)24-9-7-23(8-10-24)15-4-2-14(20)3-5-15/h1-6,11-12H,7-10H2.
What are the key properties of 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline?
6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline has a molecular weight of 387.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 87020702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).