4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine

C15H12BrN3O2 — CID 104708851

IUPAC4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
SMILESCOc1ccc(Oc2nc(N)nc3ccccc23)c(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-20-9-6-7-13(11(16)8-9)21-14-10-4-2-3-5-12(10)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyXBPWWCIWNLTICJ-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.78
Rot. Bonds3

About 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine

4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine (PubChem CID 104708851) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
PubChem CID104708851
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
SMILESCOc1ccc(Oc2nc(N)nc3ccccc23)c(Br)c1
InChIInChI=1S/C15H12BrN3O2/c1-20-9-6-7-13(11(16)8-9)21-14-10-4-2-3-5-12(10)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19)
InChIKeyXBPWWCIWNLTICJ-UHFFFAOYSA-N
XLogP3.78
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668
4-(2-methoxy-4-methylphenoxy)quinazolin-2-amine
CID 80874331
4-(2-methylphenoxy)quinazolin-2-amine
CID 80869397
4-N-(2-bromo-5-methoxyphenyl)quinazoline-2,4-diamine
CID 80829921
4-(5-fluoro-2-methylphenoxy)quinazolin-2-amine
CID 102989130
4-(2-fluorophenoxy)quinazolin-2-amine
CID 80864583
4-(2-bromo-4-methoxyphenoxy)cinnoline
CID 104707553
4-(4-chloro-3-methylphenoxy)quinazolin-2-amine
CID 80865775
5-methoxy-2-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375214
4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine
CID 80874662
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine (CID 104708851) is 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine is COc1ccc(Oc2nc(N)nc3ccccc23)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine?
The InChIKey is XBPWWCIWNLTICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-20-9-6-7-13(11(16)8-9)21-14-10-4-2-3-5-12(10)18-15(17)19-14/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine?
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine has a molecular weight of 346.18 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine is sourced from PubChem (CID 104708851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).