6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline

C16H12BrFN2O2 — CID 4790054

IUPAC6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
SMILESFc1ccccc1OCCOc1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H12BrFN2O2/c17-11-5-6-14-12(9-11)16(20-10-19-14)22-8-7-21-15-4-2-1-3-13(15)18/h1-6,9-10H,7-8H2
InChIKeyWGFBUONIQBNGCY-UHFFFAOYSA-N
MW363.19 g/mol
LogP3.99
Rot. Bonds5

About 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline

6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline (PubChem CID 4790054) has the molecular formula C16H12BrFN2O2 and a molecular weight of 363.19 g/mol. Its IUPAC name is 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
PubChem CID4790054
Molecular FormulaC16H12BrFN2O2
Molecular Weight363.19 g/mol
Exact Mass362.01
IUPAC Name6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
SMILESFc1ccccc1OCCOc1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H12BrFN2O2/c17-11-5-6-14-12(9-11)16(20-10-19-14)22-8-7-21-15-4-2-1-3-13(15)18/h1-6,9-10H,7-8H2
InChIKeyWGFBUONIQBNGCY-UHFFFAOYSA-N
XLogP3.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 53.99
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-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]quinazoline
CID 5343268
6-bromo-4-[2-(2,2,2-trifluoroethoxy)phenoxy]quinazoline
CID 86946168
4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
CID 55321352
4-[2-(3-bromophenoxy)ethoxy]quinazoline
CID 55327258
2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile
CID 112783896
6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline
CID 78764907
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
6-bromo-3-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]quinazolin-4-one
CID 18269303
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
6-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020699
6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline
CID 112769880
6-(4-fluorophenyl)-4-phenylmethoxyquinazoline
CID 24958786

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline?
The IUPAC name of 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline (CID 4790054) is 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline.
What is the SMILES notation for 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline?
The canonical SMILES for 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline is Fc1ccccc1OCCOc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline?
The InChIKey is WGFBUONIQBNGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O2/c17-11-5-6-14-12(9-11)16(20-10-19-14)22-8-7-21-15-4-2-1-3-13(15)18/h1-6,9-10H,7-8H2.
What are the key properties of 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline?
6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline has a molecular weight of 363.19 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline is sourced from PubChem (CID 4790054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).