6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one

C14H9BrFN3O2 — CID 136809561

IUPAC6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
SMILESNc1ccc2nc(Oc3cc(F)cc(Br)c3)[nH]c(=O)c2c1
InChIInChI=1S/C14H9BrFN3O2/c15-7-3-8(16)5-10(4-7)21-14-18-12-2-1-9(17)6-11(12)13(20)19-14/h1-6H,17H2,(H,18,19,20)
InChIKeyRIYPKURRNQTPSN-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.20
Rot. Bonds2

About 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one

6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one (PubChem CID 136809561) has the molecular formula C14H9BrFN3O2 and a molecular weight of 350.15 g/mol. Its IUPAC name is 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
PubChem CID136809561
Molecular FormulaC14H9BrFN3O2
Molecular Weight350.15 g/mol
Exact Mass348.99
IUPAC Name6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
SMILESNc1ccc2nc(Oc3cc(F)cc(Br)c3)[nH]c(=O)c2c1
InChIInChI=1S/C14H9BrFN3O2/c15-7-3-8(16)5-10(4-7)21-14-18-12-2-1-9(17)6-11(12)13(20)19-14/h1-6H,17H2,(H,18,19,20)
InChIKeyRIYPKURRNQTPSN-UHFFFAOYSA-N
XLogP3.20
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.20
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

6-amino-2-(2-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809564
6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
CID 136809447
6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
CID 136809563
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
CID 136809586
6-amino-2-(3-methylbutan-2-yloxy)-3H-quinazolin-4-one
CID 136809560
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
CID 136809460
6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
CID 136809559
6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
CID 136809534
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
2-(3-bromo-4-fluorophenoxy)-3H-benzimidazol-5-amine
CID 83231562

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one (CID 136809561) is 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one is Nc1ccc2nc(Oc3cc(F)cc(Br)c3)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one?
The InChIKey is RIYPKURRNQTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O2/c15-7-3-8(16)5-10(4-7)21-14-18-12-2-1-9(17)6-11(12)13(20)19-14/h1-6H,17H2,(H,18,19,20).
What are the key properties of 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one?
6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one has a molecular weight of 350.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 136809561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).