6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine

C15H11BrFN3 — CID 64983352

IUPAC6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(F)cc1-c1nc(N)c2cc(Br)ccc2n1
InChIInChI=1S/C15H11BrFN3/c1-8-2-4-10(17)7-11(8)15-19-13-5-3-9(16)6-12(13)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyYICUZSYQHQTPMR-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.09
Rot. Bonds1

About 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine

6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine (PubChem CID 64983352) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine
PubChem CID64983352
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(F)cc1-c1nc(N)c2cc(Br)ccc2n1
InChIInChI=1S/C15H11BrFN3/c1-8-2-4-10(17)7-11(8)15-19-13-5-3-9(16)6-12(13)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyYICUZSYQHQTPMR-UHFFFAOYSA-N
XLogP4.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine (CID 64983352) is 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine is Cc1ccc(F)cc1-c1nc(N)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine?
The InChIKey is YICUZSYQHQTPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c1-8-2-4-10(17)7-11(8)15-19-13-5-3-9(16)6-12(13)14(18)20-15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine?
6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine has a molecular weight of 332.18 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-fluoro-2-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).