4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine

C14H10BrFN4 — CID 104775655

IUPAC4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccc(F)c(Br)c3)ncnc2c1
InChIInChI=1S/C14H10BrFN4/c15-11-6-9(2-4-12(11)16)20-14-10-3-1-8(17)5-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyMOHWHNWATZUJKA-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.86
Rot. Bonds2

About 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine

4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine (PubChem CID 104775655) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
PubChem CID104775655
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3ccc(F)c(Br)c3)ncnc2c1
InChIInChI=1S/C14H10BrFN4/c15-11-6-9(2-4-12(11)16)20-14-10-3-1-8(17)5-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyMOHWHNWATZUJKA-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

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
CID 103001760
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
4-N-thiophen-3-ylquinazoline-4,7-diamine
CID 66352541
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-N-(3-bromo-4-fluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104775547
2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
CID 141449290
N-(3-bromo-4-fluorophenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 113452357

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine (CID 104775655) is 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine is Nc1ccc2c(Nc3ccc(F)c(Br)c3)ncnc2c1.
What is the InChIKey of 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine?
The InChIKey is MOHWHNWATZUJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-11-6-9(2-4-12(11)16)20-14-10-3-1-8(17)5-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20).
What are the key properties of 4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine?
4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-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-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine is sourced from PubChem (CID 104775655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).