4-N-(3-bromophenyl)quinazoline-4,6,7-triamine

C14H12BrN5 — CID 2426

IUPAC4-N-(3-bromophenyl)quinazoline-4,6,7-triamine
SMILESNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
InChIInChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
InChIKeyADXSZLCTQCWMTE-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.30
Rot. Bonds2

About 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine

4-N-(3-bromophenyl)quinazoline-4,6,7-triamine (PubChem CID 2426) has the molecular formula C14H12BrN5 and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)quinazoline-4,6,7-triamine
PubChem CID2426
Molecular FormulaC14H12BrN5
Molecular Weight330.19 g/mol
Exact Mass329.03
IUPAC Name4-N-(3-bromophenyl)quinazoline-4,6,7-triamine
SMILESNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
InChIInChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20)
InChIKeyADXSZLCTQCWMTE-UHFFFAOYSA-N
XLogP3.30
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine?
The IUPAC name of 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine (CID 2426) is 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine.
What is the SMILES notation for 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine?
The canonical SMILES for 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine is Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N.
What is the InChIKey of 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine?
The InChIKey is ADXSZLCTQCWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5/c15-8-2-1-3-9(4-8)20-14-10-5-11(16)12(17)6-13(10)18-7-19-14/h1-7H,16-17H2,(H,18,19,20).
What are the key properties of 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine?
4-N-(3-bromophenyl)quinazoline-4,6,7-triamine has a molecular weight of 330.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)quinazoline-4,6,7-triamine is sourced from PubChem (CID 2426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).