2-(4-bromophenyl)-4-piperazin-1-ylquinazoline

C18H17BrN4 — CID 1212776

IUPAC2-(4-bromophenyl)-4-piperazin-1-ylquinazoline
SMILESBrc1ccc(-c2nc(N3CCNCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H17BrN4/c19-14-7-5-13(6-8-14)17-21-16-4-2-1-3-15(16)18(22-17)23-11-9-20-10-12-23/h1-8,20H,9-12H2
InChIKeyBCFIDFWMHBRCRH-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.47
Rot. Bonds2

About 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline

2-(4-bromophenyl)-4-piperazin-1-ylquinazoline (PubChem CID 1212776) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-piperazin-1-ylquinazoline
PubChem CID1212776
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name2-(4-bromophenyl)-4-piperazin-1-ylquinazoline
SMILESBrc1ccc(-c2nc(N3CCNCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H17BrN4/c19-14-7-5-13(6-8-14)17-21-16-4-2-1-3-15(16)18(22-17)23-11-9-20-10-12-23/h1-8,20H,9-12H2
InChIKeyBCFIDFWMHBRCRH-UHFFFAOYSA-N
XLogP3.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline (CID 1212776) is 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline is Brc1ccc(-c2nc(N3CCNCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline?
The InChIKey is BCFIDFWMHBRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c19-14-7-5-13(6-8-14)17-21-16-4-2-1-3-15(16)18(22-17)23-11-9-20-10-12-23/h1-8,20H,9-12H2.
What are the key properties of 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline?
2-(4-bromophenyl)-4-piperazin-1-ylquinazoline has a molecular weight of 369.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 1212776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).