4-(2-bromo-4-methylphenoxy)quinazolin-6-amine

C15H12BrN3O — CID 64588727

IUPAC4-(2-bromo-4-methylphenoxy)quinazolin-6-amine
SMILESCc1ccc(Oc2ncnc3ccc(N)cc23)c(Br)c1
InChIInChI=1S/C15H12BrN3O/c1-9-2-5-14(12(16)6-9)20-15-11-7-10(17)3-4-13(11)18-8-19-15/h2-8H,17H2,1H3
InChIKeyZAGHNCXWJIYEPB-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.08
Rot. Bonds2

About 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine

4-(2-bromo-4-methylphenoxy)quinazolin-6-amine (PubChem CID 64588727) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)quinazolin-6-amine
PubChem CID64588727
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-(2-bromo-4-methylphenoxy)quinazolin-6-amine
SMILESCc1ccc(Oc2ncnc3ccc(N)cc23)c(Br)c1
InChIInChI=1S/C15H12BrN3O/c1-9-2-5-14(12(16)6-9)20-15-11-7-10(17)3-4-13(11)18-8-19-15/h2-8H,17H2,1H3
InChIKeyZAGHNCXWJIYEPB-UHFFFAOYSA-N
XLogP4.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-bromo-4-methylphenoxy)quinazolin-6-amine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine (CID 64588727) is 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine is Cc1ccc(Oc2ncnc3ccc(N)cc23)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine?
The InChIKey is ZAGHNCXWJIYEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-2-5-14(12(16)6-9)20-15-11-7-10(17)3-4-13(11)18-8-19-15/h2-8H,17H2,1H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine?
4-(2-bromo-4-methylphenoxy)quinazolin-6-amine has a molecular weight of 330.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)quinazolin-6-amine is sourced from PubChem (CID 64588727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).