6-bromo-4-piperazin-1-ylquinazoline

C12H13BrN4 — CID 7137844

IUPAC6-bromo-4-piperazin-1-ylquinazoline
SMILESBrc1ccc2ncnc(N3CCNCC3)c2c1
InChIInChI=1S/C12H13BrN4/c13-9-1-2-11-10(7-9)12(16-8-15-11)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2
InChIKeyYKLUQABTYJZQOJ-UHFFFAOYSA-N
MW293.17 g/mol
LogP1.80
Rot. Bonds1

About 6-bromo-4-piperazin-1-ylquinazoline

6-bromo-4-piperazin-1-ylquinazoline (PubChem CID 7137844) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 6-bromo-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name6-bromo-4-piperazin-1-ylquinazoline
PubChem CID7137844
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name6-bromo-4-piperazin-1-ylquinazoline
SMILESBrc1ccc2ncnc(N3CCNCC3)c2c1
InChIInChI=1S/C12H13BrN4/c13-9-1-2-11-10(7-9)12(16-8-15-11)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2
InChIKeyYKLUQABTYJZQOJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-piperazin-1-ylquinazoline?
The IUPAC name of 6-bromo-4-piperazin-1-ylquinazoline (CID 7137844) is 6-bromo-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 6-bromo-4-piperazin-1-ylquinazoline?
The canonical SMILES for 6-bromo-4-piperazin-1-ylquinazoline is Brc1ccc2ncnc(N3CCNCC3)c2c1.
What is the InChIKey of 6-bromo-4-piperazin-1-ylquinazoline?
The InChIKey is YKLUQABTYJZQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-9-1-2-11-10(7-9)12(16-8-15-11)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2.
What are the key properties of 6-bromo-4-piperazin-1-ylquinazoline?
6-bromo-4-piperazin-1-ylquinazoline has a molecular weight of 293.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 7137844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).