7-bromo-6-iodo-4-piperazin-1-ylquinazoline

C12H12BrIN4 — CID 155267428

IUPAC7-bromo-6-iodo-4-piperazin-1-ylquinazoline
SMILESBrc1cc2ncnc(N3CCNCC3)c2cc1I
InChIInChI=1S/C12H12BrIN4/c13-9-6-11-8(5-10(9)14)12(17-7-16-11)18-3-1-15-2-4-18/h5-7,15H,1-4H2
InChIKeyYDZSTFLOTKQPLW-UHFFFAOYSA-N
MW419.06 g/mol
LogP2.41
Rot. Bonds1

About 7-bromo-6-iodo-4-piperazin-1-ylquinazoline

7-bromo-6-iodo-4-piperazin-1-ylquinazoline (PubChem CID 155267428) has the molecular formula C12H12BrIN4 and a molecular weight of 419.06 g/mol. Its IUPAC name is 7-bromo-6-iodo-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name7-bromo-6-iodo-4-piperazin-1-ylquinazoline
PubChem CID155267428
Molecular FormulaC12H12BrIN4
Molecular Weight419.06 g/mol
Exact Mass417.93
IUPAC Name7-bromo-6-iodo-4-piperazin-1-ylquinazoline
SMILESBrc1cc2ncnc(N3CCNCC3)c2cc1I
InChIInChI=1S/C12H12BrIN4/c13-9-6-11-8(5-10(9)14)12(17-7-16-11)18-3-1-15-2-4-18/h5-7,15H,1-4H2
InChIKeyYDZSTFLOTKQPLW-UHFFFAOYSA-N
XLogP2.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.06
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
CID 118018983
N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline
CID 3234272
5-iodo-4-piperazin-1-ylpyrimidine;dihydrochloride
CID 67539377
7-bromo-6-chloro-8-fluoro-4-piperazin-1-ylquinazoline
CID 123902748
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
1-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]piperidin-4-one
CID 10992646
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
4-(6-acetyl-7-bromoquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267423
6-methoxy-4-piperazin-1-yl-7-[2-(tetrazol-1-yl)ethoxy]quinazoline
CID 11068254
4-(7-bromo-6-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 155267479
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
6-(6-chloro-4-piperazin-1-ylquinazolin-7-yl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 146624860

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-iodo-4-piperazin-1-ylquinazoline?
The IUPAC name of 7-bromo-6-iodo-4-piperazin-1-ylquinazoline (CID 155267428) is 7-bromo-6-iodo-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 7-bromo-6-iodo-4-piperazin-1-ylquinazoline?
The canonical SMILES for 7-bromo-6-iodo-4-piperazin-1-ylquinazoline is Brc1cc2ncnc(N3CCNCC3)c2cc1I.
What is the InChIKey of 7-bromo-6-iodo-4-piperazin-1-ylquinazoline?
The InChIKey is YDZSTFLOTKQPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrIN4/c13-9-6-11-8(5-10(9)14)12(17-7-16-11)18-3-1-15-2-4-18/h5-7,15H,1-4H2.
What are the key properties of 7-bromo-6-iodo-4-piperazin-1-ylquinazoline?
7-bromo-6-iodo-4-piperazin-1-ylquinazoline has a molecular weight of 419.06 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-iodo-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 155267428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).