4-[2-(3-bromophenoxy)ethoxy]quinazoline

C16H13BrN2O2 — CID 55327258

IUPAC4-[2-(3-bromophenoxy)ethoxy]quinazoline
SMILESBrc1cccc(OCCOc2ncnc3ccccc23)c1
InChIInChI=1S/C16H13BrN2O2/c17-12-4-3-5-13(10-12)20-8-9-21-16-14-6-1-2-7-15(14)18-11-19-16/h1-7,10-11H,8-9H2
InChIKeyLYNMSGPIFRETOH-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.85
Rot. Bonds5

About 4-[2-(3-bromophenoxy)ethoxy]quinazoline

4-[2-(3-bromophenoxy)ethoxy]quinazoline (PubChem CID 55327258) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 4-[2-(3-bromophenoxy)ethoxy]quinazoline.

Molecular Properties

Compound Name4-[2-(3-bromophenoxy)ethoxy]quinazoline
PubChem CID55327258
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name4-[2-(3-bromophenoxy)ethoxy]quinazoline
SMILESBrc1cccc(OCCOc2ncnc3ccccc23)c1
InChIInChI=1S/C16H13BrN2O2/c17-12-4-3-5-13(10-12)20-8-9-21-16-14-6-1-2-7-15(14)18-11-19-16/h1-7,10-11H,8-9H2
InChIKeyLYNMSGPIFRETOH-UHFFFAOYSA-N
XLogP3.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromopentoxy)quinazoline
CID 163216994
2-[2-(3-bromophenoxy)ethoxy]dibenzofuran
CID 7916398
3-bromo-5-quinazolin-4-yloxyaniline
CID 103589063
4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
CID 55321352
6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
CID 4790054
4-ethoxyquinazoline
CID 589708
4-[2-(2,3,6-trimethylphenoxy)ethoxy]quinazoline
CID 3820862
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
CID 78801696
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
N-ethyl-2-quinazolin-4-yloxyethanamine
CID 62347961
4-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline
CID 5343268

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenoxy)ethoxy]quinazoline?
The IUPAC name of 4-[2-(3-bromophenoxy)ethoxy]quinazoline (CID 55327258) is 4-[2-(3-bromophenoxy)ethoxy]quinazoline.
What is the SMILES notation for 4-[2-(3-bromophenoxy)ethoxy]quinazoline?
The canonical SMILES for 4-[2-(3-bromophenoxy)ethoxy]quinazoline is Brc1cccc(OCCOc2ncnc3ccccc23)c1.
What is the InChIKey of 4-[2-(3-bromophenoxy)ethoxy]quinazoline?
The InChIKey is LYNMSGPIFRETOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-12-4-3-5-13(10-12)20-8-9-21-16-14-6-1-2-7-15(14)18-11-19-16/h1-7,10-11H,8-9H2.
What are the key properties of 4-[2-(3-bromophenoxy)ethoxy]quinazoline?
4-[2-(3-bromophenoxy)ethoxy]quinazoline has a molecular weight of 345.20 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenoxy)ethoxy]quinazoline is sourced from PubChem (CID 55327258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).