4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine

C14H10BrFN4 — CID 80843172

IUPAC4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2ccc(Br)c(F)c2)c2ccccc2n1
InChIInChI=1S/C14H10BrFN4/c15-10-6-5-8(7-11(10)16)18-13-9-3-1-2-4-12(9)19-14(17)20-13/h1-7H,(H3,17,18,19,20)
InChIKeyXZTYJPXLUUTTKQ-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.86
Rot. Bonds2

About 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine

4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine (PubChem CID 80843172) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
PubChem CID80843172
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(Nc2ccc(Br)c(F)c2)c2ccccc2n1
InChIInChI=1S/C14H10BrFN4/c15-10-6-5-8(7-11(10)16)18-13-9-3-1-2-4-12(9)19-14(17)20-13/h1-7H,(H3,17,18,19,20)
InChIKeyXZTYJPXLUUTTKQ-UHFFFAOYSA-N
XLogP3.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine (CID 80843172) is 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine is Nc1nc(Nc2ccc(Br)c(F)c2)c2ccccc2n1.
What is the InChIKey of 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine?
The InChIKey is XZTYJPXLUUTTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-10-6-5-8(7-11(10)16)18-13-9-3-1-2-4-12(9)19-14(17)20-13/h1-7H,(H3,17,18,19,20).
What are the key properties of 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine?
4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine has a molecular weight of 333.16 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80843172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).